SCHEMBL9809757

SCHEMBL9809757

CNC(=NCCS)NC#N

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.32
ACHE P22303 1/20 0.32
HRH4 Q9H3N8 2/20 0.31
ALDH1A1 P00352 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL11215888 1.00 BCHE (0.32) BCHEACHEHRH4ALDH1A1
SCHEMBL9809754 1.00 BCHE (0.32) BCHEACHEHRH4ALDH1A1
SCHEMBL11527369 0.89 HRH4 (0.35) BCHEACHEHRH4
SCHEMBL11527367 0.89 HRH4 (0.35) BCHEACHEHRH4
SCHEMBL9777093 0.82 HRH4 (0.32) HRH4ALDH1A1
SCHEMBL9777091 0.82 HRH4 (0.32) HRH4ALDH1A1
SCHEMBL11527452 0.81 HRH4 (0.47) BCHEACHEHRH4
SCHEMBL11527451 0.81 HRH4 (0.47) BCHEACHEHRH4
SCHEMBL6351490 0.80
SCHEMBL10567402 0.80 HRH4 (0.31) HRH4ALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 46 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112830896-B Preparation method of cimetidine 盐城凯利药业有限公司 2021-08-17 CN claimed
EP-0046635-B1 PROCESS FOR THE PREPARATION OF CIMETIDINE ORION-YHTYMÄ OY (FI) 1985-07-03 EP claimed
EP-0046635-A1 Process for the preparation of cimetidine ORION-YHTYMÄ OY (FI) 1982-03-03 EP claimed
JP-57120573-A None JP disclosed
JP-60092257-A None JP disclosed
JP-57091978-A None JP disclosed
JP-63045266-A None JP disclosed
JP-59190973-A None JP disclosed
JP-59128375-A None JP disclosed
JP-58188855-A None JP disclosed
CN-115960048-B Cimetidine Process for the preparation of guanidine 常州安迪沃克医药科技有限公司 2025-01-24 CN disclosed
US-4279819-A GASTROINTESTINAL DISORDERS ALLEN & HANBURYS LTD. (GB) 1981-07-21 US disclosed
US-4276421-A Cyano-guanidine geometrical isomers SOCIETE DE RECHERCHES ET DE SYNTHESES ORGANIQUES S.A. (CH) 1981-06-30 US disclosed
US-4267337-A Imidazolemethylphosphonium salts SK&F LAB CO. (US) 1981-05-12 US disclosed
US-4255440-A ANTIALLERGENS, ANTIULCER AGENTS ALLEN & HANBURYS LIMITED (GB) 1981-03-10 US disclosed
US-4215217-A Process for preparing 4-substituted imidazole compounds SK&F LAB CO. (US) 1980-07-29 US disclosed
US-4171325-A Chemical process SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1979-10-16 US disclosed
US-4169855-A ANTIHISTAMINES, ANTISECRETORY AGENTS Allen & Hansbury, Limited (GB) 1979-10-02 US disclosed
US-4128658-A HISTAMINE ANTAGONISTS ALLEN & HANBURYS LIMITED (GB) 1978-12-05 US disclosed
US-4119781-A Process for preparing 4-substituted imidazole compounds SK&F LAB CO. (US) 1978-10-10 US disclosed