SCHEMBL8637844

SCHEMBL8637844

CS(=O)(=O)OCC(NCc1ccc(OCCCc2ccccc2F)cc1)C(N)=O

nearest known ligand 0.54

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 2/20 0.54
SCN3A Q9NY46 1/20 0.44
FAAH O00519 1/20 0.41
MAOB P27338 2/20 0.40
MAOA P21397 1/20 0.40
ALDH1A1 P00352 1/20 0.39
HRH1 P35367 1/20 0.39
HRH3 Q9Y5N1 1/20 0.39

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 0.88 SCN9A (0.56) SCN9ASCN3AFAAHMAOBMAOA
SCHEMBL7138720 0.88 S1PR1 (0.47)
SCHEMBL8635245 0.85 MAOB (0.54) SCN9AMAOBMAOA
SCHEMBL8634796 0.85 SCN9A (0.58) SCN9ASCN3AFAAHMAOBMAOA
SCHEMBL8640727 0.81 SCN9A (0.79) SCN9ASCN3AMAOBMAOAHRH1
SCHEMBL8637430 0.81 SCN9A (0.79) SCN9ASCN3AMAOBMAOAHRH1
SCHEMBL8638247 0.79 SCN9A (0.74) SCN9ASCN3AMAOBMAOAHRH1
SCHEMBL30673429 0.79 MMP2 (0.41) SCN9A
SCHEMBL9136649 0.77 S1PR1 (0.47)
SCHEMBL8634600 0.76 SCN9A (0.81) SCN9ASCN3AMAOBMAOAHRH1

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