SCHEMBL8640665

SCHEMBL8640665

CC(CNS(C)(=O)=O)NCc1ccc(OCCc2cccc(F)c2)cc1

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.49
MAOA P21397 1/20 0.49
SCN9A Q15858 1/20 0.49
PPARG P37231 1/20 0.42
BCHE P06276 1/20 0.41
ERBB2 P04626 1/20 0.40
ERBB4 Q15303 1/20 0.40

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
SCHEMBL8637848 0.95 MAOB (0.48) MAOBMAOASCN9ABCHE
Hydrochloric Acid SCHEMBL8636522 0.94 MAOB (0.48) MAOBMAOASCN9ABCHE
SCHEMBL1665718 0.89 MAOB (0.62) MAOBMAOASCN9ABCHE
SCHEMBL2940856 0.89 MAOB (0.62) MAOBMAOASCN9ABCHE
SCHEMBL1672184 0.89 MAOB (0.62) MAOBMAOASCN9ABCHE
Water SCHEMBL1672445 0.88 MAOB (0.61) MAOBMAOASCN9ABCHE
Water SCHEMBL1672694 0.88 MAOB (0.61) MAOBMAOASCN9ABCHE
SCHEMBL8636498 0.85 FAAH (0.42) PPARGBCHE
SCHEMBL8638250 0.84 SCN9A (0.50) SCN9ABCHE
SCHEMBL8637818 0.82 SLC2A1 (0.47)

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 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