SCHEMBL9435601

SCHEMBL9435601

CNC(=NCCCl)NC#N

nearest known ligand 0.31

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
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
SCHEMBL9436083 1.00 HRH4 (0.31) HRH4ALDH1A1
SCHEMBL10567402 0.84 HRH4 (0.31) HRH4ALDH1A1
SCHEMBL9777093 0.82 HRH4 (0.32) HRH4ALDH1A1
SCHEMBL9777091 0.82 HRH4 (0.32) HRH4ALDH1A1
SCHEMBL11215888 0.80 BCHE (0.32) HRH4ALDH1A1
SCHEMBL10999302 0.80 HRH4 (0.31) HRH4ALDH1A1
SCHEMBL9809754 0.80 BCHE (0.32) HRH4ALDH1A1
SCHEMBL9809757 0.80 BCHE (0.32) HRH4ALDH1A1
SCHEMBL10999299 0.80 HRH4 (0.31) HRH4ALDH1A1
SCHEMBL11801557 0.79

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0279161-B1 A process for the preparation of cimetidine LEK TOVARNA FARMACEVTSKIH (SI) 1994-01-05 EP claimed
US-4855439-A Process for the preparation of cimetidine LEK (YU) 1989-08-08 US claimed
US-4200761-A Process for preparing N-cyano-N'methyl-N\"-{2-[(4-methyl-5-imidazolyl)-methylthio]-ethyl} guanidine LEK, TOVARNA FARMACEVTSKIH IN KEMICNIH IZDELKOV, N.SOL.O. (YU) 1980-04-29 US claimed
EP-0279161-B1 A process for the preparation of cimetidine LEK TOVARNA FARMACEVTSKIH (SI) 1994-01-05 EP disclosed
US-4855439-A Process for the preparation of cimetidine LEK (YU) 1989-08-08 US disclosed
US-4855439-A Process for the preparation of cimetidine LEK (YU) 1989-08-08 US disclosed
US-4200761-A Process for preparing N-cyano-N'methyl-N\"-{2-[(4-methyl-5-imidazolyl)-methylthio]-ethyl} guanidine LEK, TOVARNA FARMACEVTSKIH IN KEMICNIH IZDELKOV, N.SOL.O. (YU) 1980-04-29 US disclosed
US-4200761-A Process for preparing N-cyano-N'methyl-N\"-{2-[(4-methyl-5-imidazolyl)-methylthio]-ethyl} guanidine LEK, TOVARNA FARMACEVTSKIH IN KEMICNIH IZDELKOV, N.SOL.O. (YU) 1980-04-29 US disclosed