SCHEMBL8637848

SCHEMBL8637848

CC(CNS(C)(=O)=O)NCc1ccc(OCCCc2cccc(F)c2)cc1

nearest known ligand 0.52

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.48
MAOA P21397 1/20 0.48
SCN9A Q15858 1/20 0.48
BCHE P06276 1/20 0.40
SLC2A1 P11166 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
Hydrochloric Acid SCHEMBL8636522 0.99 MAOB (0.48) MAOBMAOASCN9ABCHESLC2A1
SCHEMBL8640665 0.95 MAOB (0.49) MAOBMAOASCN9ABCHE
SCHEMBL1672184 0.89 MAOB (0.62) MAOBMAOASCN9ABCHE
SCHEMBL2940856 0.89 MAOB (0.62) MAOBMAOASCN9ABCHE
SCHEMBL1665718 0.89 MAOB (0.62) MAOBMAOASCN9ABCHE
SCHEMBL8636498 0.88 FAAH (0.42) BCHE
SCHEMBL8637818 0.88 SLC2A1 (0.47) SLC2A1
SCHEMBL9133931 0.88 SLC2A1 (0.53) BCHESLC2A1
SCHEMBL8638563 0.88 MEN1 (0.49) BCHESLC2A1
Water SCHEMBL1672445 0.88 MAOB (0.61) MAOBMAOASCN9ABCHE

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 3 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
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