SCHEMBL9809754

SCHEMBL9809754

CN/C(=N/CCS)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
SCHEMBL9809757 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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-63045266-A None JP disclosed
JP-59190973-A None JP disclosed
JP-59128375-A None JP disclosed
JP-58188855-A None JP disclosed
EP-0261818-B1 PROCESS FOR PREPARATION OF GUANIDINE DERIVATIVE MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1991-12-11 EP disclosed
EP-0259140-B1 CYANOGUANIDINE DERIVATIVE AND PROCESS FOR PREPARATION THEREOF MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1991-05-29 EP disclosed
US-4973703-A ACTIVATED CARBON IN WATER IN PRESENCE OR ORGANIC ACID MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1990-11-27 US disclosed
US-4814500-A ANTIULCER MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1989-03-21 US disclosed
US-4808726-A REACTING N-CYANO-N*-METHYL-N\"-(2-(BUTANE-2,3-DIONYL) THIOETHYL) GUANIDINE WITH AMMONIUM SALT OF A CARBOXYLIC ACID AND FORMALDEHYDE MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1989-02-28 US disclosed
JP-S59128375-A PREPARATION OF IMIDAZOLE COMPOUND TOKAWA TETSUO 1984-07-24 JP disclosed
US-4447621-A Use of N-cyano-N'-methyl-N\"-[2-(5-methyl-4-imidazolylmethyldithio)ethyl]guanidine in the preparation of cimetidine SK&F LAB CO. (US) 1984-05-08 US disclosed
JP-S58188855-A PREPARATION OF GUANIDINE DERIVATIVE FUJIMOTO SEIYAKU KK 1983-11-04 JP disclosed
US-4374996-A Disulfide intermediate for cimetidine SK & F LAB CO. (US) 1983-02-22 US disclosed
US-4365067-A Method for preparing pharmacologically active cyanoguanidine derivative FUJIMOTO PHARMACEUTICAL CORPORATION (JP) 1982-12-21 US disclosed
US-4365067-A Method for preparing pharmacologically active cyanoguanidine derivative FUJIMOTO PHARMACEUTICAL CORPORATION (JP) 1982-12-21 US disclosed
EP-0046635-A1 Process for the preparation of cimetidine ORION-YHTYMÄ OY (FI) 1982-03-03 EP disclosed
EP-0046635-A1 Process for the preparation of cimetidine ORION-YHTYMÄ OY (FI) 1982-03-03 EP disclosed
US-4171325-A Chemical process SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1979-10-16 US disclosed