SCHEMBL9515260

SCHEMBL9515260

CC(NCc1ccc(OCCc2ccccc2)cc1)C(N)=O

nearest known ligand 0.88

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 2/20 0.62
MAOB P27338 2/20 0.61
MAOA P21397 1/20 0.61
HRH3 Q9Y5N1 3/20 0.60
HRH1 P35367 1/20 0.60
FFAR1 O14842 1/20 0.55

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
SCHEMBL7397141 1.00 SCN9A (0.62) SCN9AMAOBMAOAHRH3HRH1
SCHEMBL1067813 0.94 HRH3 (0.61) SCN9AMAOBMAOAHRH3HRH1
SCHEMBL9130764 0.94 HRH3 (0.61) SCN9AMAOBMAOAHRH3HRH1
SCHEMBL1071683 0.93 HRH3 (0.60) SCN9AMAOBMAOAHRH3HRH1
SCHEMBL1071042 0.91 HRH3 (0.59) SCN9AMAOBMAOAHRH3HRH1
SCHEMBL9132534 0.89 HRH3 (0.57) SCN9AMAOBMAOAHRH3HRH1
SCHEMBL9134996 0.88 HRH3 (0.56) SCN9AMAOBMAOAHRH3HRH1
SCHEMBL4456855 0.87 MAOB (0.74) SCN9AMAOBMAOAHRH3
SCHEMBL1070615 0.87 MAOB (0.74) SCN9AMAOBMAOAHRH3
SCHEMBL7403715 0.87 MAOB (0.74) SCN9AMAOBMAOAHRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0400495-B1 N-phenylalkyl substituted alpha-amino carboxamide derivatives and process for their preparation. ERBA CARLO SPA (IT) 1993-11-03 EP disclosed
EP-0400495-A1 N-phenylalkyl substituted alfa-amino carboxamide derivatives and process for their preparation FARMITALIA CARLO ERBA S.r.l. (IT) 1990-12-05 EP disclosed