SCHEMBL8635245

SCHEMBL8635245

CS(=O)(=O)OCC(NCc1ccc(OCCCc2cccc(F)c2)cc1)C(N)=O

nearest known ligand 0.58

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.54
MAOA P21397 1/20 0.54
SCN9A Q15858 1/20 0.54

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
SCHEMBL8635243 0.89 MAOB (0.56) MAOBMAOASCN9A
SCHEMBL7138720 0.88 S1PR1 (0.47)
SCHEMBL8637538 0.85 MAOB (0.58) MAOBMAOASCN9A
SCHEMBL8637844 0.85 SCN9A (0.54) MAOBMAOASCN9A
SCHEMBL8637846 0.85 MAOB (0.72) MAOBMAOASCN9A
Hydrochloric Acid SCHEMBL8636518 0.84 MAOB (0.71) MAOBMAOASCN9A
SCHEMBL8636182 0.82 MAOB (0.78) MAOBMAOASCN9A
SCHEMBL8640659 0.80 MAOB (0.74) MAOBMAOASCN9A
SCHEMBL9136649 0.78 S1PR1 (0.47)
SCHEMBL30673429 0.77 MMP2 (0.41) SCN9A

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