SCHEMBL8640778

SCHEMBL8640778

CC(NCc1ccc(OCCCc2ccccc2Cl)cc1)C(N)=O

nearest known ligand 0.73

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 2/20 0.61
HRH3 Q9Y5N1 3/20 0.56
HRH1 P35367 1/20 0.56
MAOB P27338 3/20 0.52
MAOA P21397 2/20 0.52
HTR6 P50406 2/20 0.44

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
SCHEMBL8639402 0.96 SCN9A (0.57) SCN9AHRH3HRH1MAOBMAOA
SCHEMBL8640727 0.88 SCN9A (0.79) SCN9AHRH3HRH1MAOBMAOA
SCHEMBL9133333 0.88 HRH3 (0.57) SCN9AHRH3HRH1MAOBMAOA
SCHEMBL8637430 0.88 SCN9A (0.79) SCN9AHRH3HRH1MAOBMAOA
SCHEMBL966440 0.87 SCN9A (0.75) SCN9AHRH3MAOBMAOA
SCHEMBL2186343 0.87 SCN9A (0.75) SCN9AHRH3MAOBMAOA
SCHEMBL2187391 0.87 SCN9A (0.75) SCN9AHRH3MAOBMAOA
SCHEMBL8639759 0.87 SCN9A (0.61) SCN9AHRH3HRH1MAOBMAOA
SCHEMBL9132041 0.86 SCN9A (0.60) SCN9AHRH3HRH1MAOBMAOA
SCHEMBL1067813 0.85 HRH3 (0.61) SCN9AHRH3HRH1MAOBMAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0643688-B1 SUBSTITUTED (ARYLALKOXYBENZYL)AMINOPROPANAMIDE DERIVATIVES, THEIR PREPARATION AND USE AS ANTI-EPILEPTIC, NEUROPROTECTIVE AND ANTIDEPRESSANT AGENTS PHARMACIA & UPJOHN SPA (IT) 1998-07-29 EP claimed
US-5446066-A Antiepileptic, antidepressants, antispastic agent FARMITALIA CARLO ERBA S.R.L. (IT) 1995-08-29 US claimed
EP-0643688-B1 SUBSTITUTED (ARYLALKOXYBENZYL)AMINOPROPANAMIDE DERIVATIVES, THEIR PREPARATION AND USE AS ANTI-EPILEPTIC, NEUROPROTECTIVE AND ANTIDEPRESSANT AGENTS PHARMACIA & UPJOHN SPA (IT) 1998-07-29 EP disclosed
US-5446066-A Antiepileptic, antidepressants, antispastic agent FARMITALIA CARLO ERBA S.R.L. (IT) 1995-08-29 US disclosed