SCHEMBL8634796

SCHEMBL8634796

NC(=O)C(CO)NCc1ccc(OCCCc2ccccc2F)cc1

nearest known ligand 0.63

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 2/20 0.58
SCN3A Q9NY46 1/20 0.50
FAAH O00519 1/20 0.43
MAOB P27338 2/20 0.43
PARP15 Q460N3 1/20 0.43
PARP14 Q460N5 1/20 0.43
PARP10 Q53GL7 1/20 0.43
MAOA P21397 1/20 0.42

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
SCHEMBL8637840 0.95 SCN9A (0.56) SCN9ASCN3AFAAHMAOBMAOA
SCHEMBL963780 0.89 SCN9A (0.73) SCN9ASCN3AMAOBPARP15PARP14
SCHEMBL9133470 0.86 FFAR1 (0.54)
SCHEMBL8637430 0.85 SCN9A (0.79) SCN9ASCN3AMAOBMAOA
SCHEMBL8640727 0.85 SCN9A (0.79) SCN9ASCN3AMAOBMAOA
SCHEMBL8637844 0.85 SCN9A (0.54) SCN9ASCN3AFAAHMAOBMAOA
SCHEMBL8637538 0.83 MAOB (0.58) SCN9AMAOBMAOA
SCHEMBL7138716 0.81 FFAR1 (0.49)
SCHEMBL8634600 0.80 SCN9A (0.81) SCN9ASCN3AMAOBMAOA
SCHEMBL15195013 0.79 SCN9A (0.76) SCN9ASCN3AMAOBPARP15PARP14

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