SCHEMBL7397159

SCHEMBL7397159

CC(NCc1ccc(Oc2ccccc2)cc1)C(N)=O

nearest known ligand 0.73

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 3/20 0.62
MAOB P27338 2/20 0.57
MAOA P21397 1/20 0.57
HRH3 Q9Y5N1 2/20 0.53
HRH1 P35367 1/20 0.53
MAPK14 Q16539 1/20 0.50

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
SCHEMBL7397155 1.00 SCN9A (0.62) SCN9AMAOBMAOAHRH3HRH1
SCHEMBL1790979 0.86 SCN9A (0.57) SCN9AMAOBMAOA
SCHEMBL411692 0.86 SCN9A (0.57) SCN9AMAOBMAOA
SCHEMBL7390171 0.86 SCN9A (0.70) SCN9AMAOBMAOAHRH3
SCHEMBL7390166 0.86 SCN9A (0.70) SCN9AMAOBMAOAHRH3
SCHEMBL1070615 0.85 MAOB (0.74) SCN9AMAOBMAOAHRH3
SCHEMBL4456855 0.85 MAOB (0.74) SCN9AMAOBMAOAHRH3
SCHEMBL7403715 0.85 MAOB (0.74) SCN9AMAOBMAOAHRH3
Hydrochloric Acid SCHEMBL5966887 0.84 SCN9A (0.56) SCN9AMAOBMAOA
SCHEMBL9515254 0.83 SCN9A (0.57) SCN9AMAOBMAOAHRH3HRH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5502079-A TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS FARMITALIA CARLO ERBA S.R.L. (IT) 1996-03-26 US disclosed
US-5391577-A Active on central nervous system; antiepileptic agents FARMITALIA CARLO ERBA S R L (IT) 1995-02-21 US disclosed
EP-0400495-B1 N-phenylalkyl substituted alpha-amino carboxamide derivatives and process for their preparation. ERBA CARLO SPA (IT) 1993-11-03 EP disclosed
US-5236957-A Antiepileptic agents FARMITALIA CARLO ERBA SRL (IT) 1993-08-17 US disclosed
EP-0426816-A1 N-PHENYLALKYL SUBSTITUTED $g(a)-AMINO CARBOXAMIDE DERIVATIVES AND PROCESS FOR THEIR PREPARATION FARMITALIA CARLO ERBA S.r.l. (IT) 1991-05-15 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
WO-1990014334-A1 N-PHENYLALKYL SUBSTITUTED α-AMINO CARBOXAMIDE DERIVATIVES AND PROCESS FOR THEIR PREPARATION FARMITALIA CARLO ERBA S.R.L. (IT) 1990-11-29 WO disclosed