Drug Information| Drug ID: | NPD340 |
| Drug Name: | Cimetidine Hydrochloride |
| Molecular Formula: | C10H16N6S.ClH |
| Canonical SMILES: | N#CNC(=NC)NCCSCc1[nH]cnc1C.Cl |
| Standard InCHI: | InChI=1S/C10H16N6S.ClH/c1-8-9(16-7-15-8)5-17-4-3-13-10(12-2)14-6-11;/h7H,3-5H2,1-2H3,(H,15,16)(H2,12,13,14);1H |
| Standard InCHIKey: | QJHCNBWLPSXHBL-UHFFFAOYSA-N |
| Max Developmental Stage: | Approved |
| Max Developmental Stage Source: | ChEMBL |
Structural Similarity Between NPASS Natural Products and NPD340Similarity level is defined by Tanimoto coefficient (Tc) between two molecules. Tc lies between [0, 1] where '1' indicates the highest similarity. What is Tanimoto coefficient 
Tanimoto coefficient is calculated based on PubChem 881-bit substructure fingerprints.
Similar Natural Products High Similarity Level: Tc>=0.85; Intermediate Similarity Level: 0.7 <= Tc < 0.85; Remote Similarity Level: 0.65 <= Tc < 0.7
| Similarity Level | Similarity Score | Natural Product ID |
|---|---|---|
| Intermediate Similarity | 0.7767 | NPC9639 |
| Intermediate Similarity | 0.767 | NPC51000 |
| Intermediate Similarity | 0.7297 | NPC155498 |
| Intermediate Similarity | 0.7273 | NPC111132 |
| Intermediate Similarity | 0.7009 | NPC327613 |
| Remote Similarity | 0.6903 | NPC476099 |
| Remote Similarity | 0.6847 | NPC293163 |
| Remote Similarity | 0.6786 | NPC187191 |
| Remote Similarity | 0.6786 | NPC326248 |
| Remote Similarity | 0.6723 | NPC313547 |
| Remote Similarity | 0.6667 | NPC59314 |
| Remote Similarity | 0.6609 | NPC18335 |
| Remote Similarity | 0.6423 | NPC68938 |
| Remote Similarity | 0.6423 | NPC189314 |
| Remote Similarity | 0.6364 | NPC41958 |
| Remote Similarity | 0.6336 | NPC104011 |
| Remote Similarity | 0.6311 | NPC237936 |
| Remote Similarity | 0.626 | NPC148385 |
| Remote Similarity | 0.6241 | NPC57279 |
| Remote Similarity | 0.6198 | NPC312187 |
| Remote Similarity | 0.6198 | NPC4837 |
| Remote Similarity | 0.619 | NPC252603 |
| Remote Similarity | 0.6186 | NPC476562 |
| Remote Similarity | 0.616 | NPC278549 |
| Remote Similarity | 0.6107 | NPC180462 |
| Remote Similarity | 0.609 | NPC246193 |
| Remote Similarity | 0.6077 | NPC15566 |
| Remote Similarity | 0.6068 | NPC174114 |
| Remote Similarity | 0.6068 | NPC87981 |
| Remote Similarity | 0.6045 | NPC25465 |
| Remote Similarity | 0.6017 | NPC476561 |
| Remote Similarity | 0.597 | NPC243319 |
| Remote Similarity | 0.5957 | NPC8590 |
| Remote Similarity | 0.5929 | NPC286696 |
| Remote Similarity | 0.5926 | NPC235501 |
| Remote Similarity | 0.5882 | NPC273327 |
| Remote Similarity | 0.5816 | NPC185903 |
| Remote Similarity | 0.5814 | NPC327579 |
| Remote Similarity | 0.5812 | NPC320256 |
| Remote Similarity | 0.5811 | NPC328479 |
| Remote Similarity | 0.5766 | NPC190949 |
| Remote Similarity | 0.5738 | NPC119133 |
| Remote Similarity | 0.5724 | NPC195140 |
| Remote Similarity | 0.5724 | NPC327477 |
| Remote Similarity | 0.5724 | NPC197068 |
| Remote Similarity | 0.5714 | NPC18223 |
| Remote Similarity | 0.5714 | NPC237812 |
| Remote Similarity | 0.5669 | NPC199790 |
| Remote Similarity | 0.5615 | NPC158847 |
| Remote Similarity | 0.5608 | NPC136349 |