SCHEMBL8637430

SCHEMBL8637430

CC(NCc1ccc(OCCCc2ccccc2F)cc1)C(N)=O

nearest known ligand 0.79

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 2/20 0.79
MAOB P27338 4/20 0.58
MAOA P21397 2/20 0.58
HRH3 Q9Y5N1 3/20 0.57
HRH1 P35367 1/20 0.57
SCN3A Q9NY46 1/20 0.51

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
SCHEMBL8640727 1.00 SCN9A (0.79) SCN9AMAOBMAOAHRH3HRH1
SCHEMBL8634600 0.94 SCN9A (0.81) SCN9AMAOBMAOAHRH3HRH1
SCHEMBL8638247 0.90 SCN9A (0.74) SCN9AMAOBMAOAHRH3HRH1
Ralfinamide SCHEMBL67329 0.88 SCN9A (1.00) SCN9AMAOBMAOAHRH3SCN3A
Ralfinamide SCHEMBL29379049 0.88 SCN9A (1.00) SCN9AMAOBMAOAHRH3SCN3A
Ralfinamide SCHEMBL67328 0.88 SCN9A (1.00) SCN9AMAOBMAOAHRH3SCN3A
Ralfinamide SCHEMBL962699 0.88 SCN9A (1.00) SCN9AMAOBMAOAHRH3SCN3A
SCHEMBL8756546 0.88 SCN9A (0.71) SCN9AMAOBMAOAHRH3HRH1
SCHEMBL8640778 0.88 SCN9A (0.61) SCN9AMAOBMAOAHRH3HRH1
SCHEMBL8639759 0.88 SCN9A (0.61) 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 8 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-A1 SUBSTITUTED (ARYLALKOXYBENZYL)AMINOPROPANAMIDE DERIVATIVES, THEIR PREPARATION AND USE AS ANTI-EPILEPTIC, NEUROPROTECTIVE AND ANTIDEPRESSANT AGENTS PHARMACIA & UPJOHN S.p.A. (IT) 1995-03-22 EP claimed
WO-1994022808-A1 SUBSTITUTED (ARYLALKOXYBENZYL)AMINOPROPANAMIDE DERIVATIVES, THEIR PREPARATION AND USE AS ANTI-EPILEPTIC, NEUROPROTECTIVE AND ANTIDEPRESSANT AGENTS FARMITALIA CARLO ERBA SRL (IT) 1994-10-13 WO 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
EP-0643688-A1 SUBSTITUTED (ARYLALKOXYBENZYL)AMINOPROPANAMIDE DERIVATIVES, THEIR PREPARATION AND USE AS ANTI-EPILEPTIC, NEUROPROTECTIVE AND ANTIDEPRESSANT AGENTS PHARMACIA & UPJOHN S.p.A. (IT) 1995-03-22 EP disclosed
WO-1994022808-A1 SUBSTITUTED (ARYLALKOXYBENZYL)AMINOPROPANAMIDE DERIVATIVES, THEIR PREPARATION AND USE AS ANTI-EPILEPTIC, NEUROPROTECTIVE AND ANTIDEPRESSANT AGENTS FARMITALIA CARLO ERBA SRL (IT) 1994-10-13 WO disclosed