SCHEMBL3288764

SCHEMBL3288764

CNC(=O)[C@H](C)NCc1ccc(OCc2cccc(F)c2)cc1

nearest known ligand 0.78

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MAOB P27338 7/20 0.78
MAOA P21397 3/20 0.78
SCN9A Q15858 1/20 0.78
PPARA Q07869 1/20 0.57

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
SCHEMBL1070381 1.00 MAOB (0.78) MAOBMAOASCN9APPARA
SCHEMBL2933427 0.88 MAOB (0.81) MAOBMAOASCN9APPARA
SCHEMBL2933423 0.88 MAOB (0.81) MAOBMAOASCN9APPARA
SCHEMBL14329886 0.88 MAOB (0.81) MAOBMAOASCN9APPARA
Safinamide SCHEMBL194169 0.87 MAOB (1.00) MAOBMAOASCN9A
Safinamide SCHEMBL31174565 0.87 MAOB (1.00) MAOBMAOASCN9A
Safinamide SCHEMBL69350 0.87 MAOB (1.00) MAOBMAOASCN9A
SCHEMBL29086940 0.87 MAOB (0.83) MAOBMAOASCN9A
Safinamide SCHEMBL29358109 0.87 MAOB (1.00) MAOBMAOASCN9A
SCHEMBL29086941 0.87 MAOB (0.83) MAOBMAOASCN9A

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 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8710040-B2 Pharmaceutical composition comprising gabapentin or an analogue thereof and an α-aminoamide and its analgesic use NEWRON PHARMACEUTICALS S.P.A. (IT) 2014-04-29 US claimed
US-20120142777-A1 PHARMACEUTICAL COMPOSITION COMPRISING GABAPENTIN OR AN ANALOGUE THEREOF AND AN ALPHA-AMINOAMIDE AND ITS ANALGESIC USE NEWRON PHARMACEUTICALS S.P.A. (IT) 2012-06-07 US claimed
US-8084447-B2 Synergistic pain treatment, side effect reduction; a mixture of pregabalin or tiagabine and 2-[4-(2-fluorobenzyloxy) benzylamino] propanamide NEWRON PHARMACEUTICALS S.P.A. (IT) 2011-12-27 US claimed
EP-1423168-B1 PHARMACEUTICAL COMPOSITION COMPRISING GABAPENTIN OR AN ANALOGUE THEREOF AND AN ALPHA-AMINOAMIDE AND ITS ANALGESIC USE NEWRON PHARM SPA (IT) 2006-02-08 EP claimed
WO-2005070405-A1 ALPHA-AMINOAMIDE DERIVATIVES USEFUL IN THE TREATMENT OF LOWER URINARY TRACT DISORDERS NEWRON PHARMACEUTICALS S.P.A. (IT) 2005-08-04 WO claimed
EP-1557166-A1 Alpha-aminoamide derivatives useful in the treatment of lower urinary tract disorders Newron Pharmaceuticals S.p.A. (IT) 2005-07-27 EP claimed
US-20040248978-A1 Pharmaceutical composition comprising gabapentin or an analogue thereof and an aminoamide and its analgesic use NEWRON PHARMACEUTICALS SPA (IT) 2004-12-09 US claimed
EP-1423168-A2 PHARMACEUTICAL COMPOSITION COMPRISING GABAPENTIN OR AN ANALOGUE THEREOF AND AN $G(A)-AMINOAMIDE AND ITS ANALGESIC USE Newron Pharmaceuticals S.p.A. (IT) 2004-06-02 EP claimed
WO-2003020273-A2 PHARMACEUTICAL COMPOSITION COMPRISING GABAPENTIN OR AN ANALOGUE THEREOF AND AN $G(A)-AMINOAMIDE AND ITS ANALGESIC USE NEWRON PHARMACEUTICALS SPA (IT) 2003-03-13 WO claimed
US-8710040-B2 Pharmaceutical composition comprising gabapentin or an analogue thereof and an α-aminoamide and its analgesic use NEWRON PHARMACEUTICALS S.P.A. (IT) 2014-04-29 US disclosed
US-8487008-B2 Treatment of muscular dystrophies and associated conditions by administration of monoamine oxidase inhibitors UNIVERSITA DEGLI STUDI DI PADOVA (IT) 2013-07-16 US disclosed
US-20120142777-A1 PHARMACEUTICAL COMPOSITION COMPRISING GABAPENTIN OR AN ANALOGUE THEREOF AND AN ALPHA-AMINOAMIDE AND ITS ANALGESIC USE NEWRON PHARMACEUTICALS S.P.A. (IT) 2012-06-07 US disclosed
US-8084447-B2 Synergistic pain treatment, side effect reduction; a mixture of pregabalin or tiagabine and 2-[4-(2-fluorobenzyloxy) benzylamino] propanamide NEWRON PHARMACEUTICALS S.P.A. (IT) 2011-12-27 US disclosed
US-7718815-B2 Alpha-aminoamide derivatives useful in the treatment of lower urinary tract disorders NEWRON PHARMACEUTICALS S.P.A. (IT) 2010-05-18 US disclosed
EP-1423168-A2 PHARMACEUTICAL COMPOSITION COMPRISING GABAPENTIN OR AN ANALOGUE THEREOF AND AN $G(A)-AMINOAMIDE AND ITS ANALGESIC USE Newron Pharmaceuticals S.p.A. (IT) 2004-06-02 EP disclosed
WO-2003020273-A2 PHARMACEUTICAL COMPOSITION COMPRISING GABAPENTIN OR AN ANALOGUE THEREOF AND AN $G(A)-AMINOAMIDE AND ITS ANALGESIC USE NEWRON PHARMACEUTICALS SPA (IT) 2003-03-13 WO disclosed
EP-0842143-B1 2-(4-SUBSTITUTED)-BENZYLAMINO-2-METHYL-PROPANAMIDE DERIVATIVES NEWRON PHARM SPA (IT) 2001-06-13 EP disclosed
US-5945454-A 2-(4-substituted)-benzylamino-2-methyl-propanamide derivatives PHARMACIA & UPJOHN, S.P.A. (IT) 1999-08-31 US disclosed
EP-0842143-A1 2-(4-SUBSTITUTED)-BENZYLAMINO-2-METHYL-PROPANAMIDE DERIVATIVES PHARMACIA & UPJOHN S.p.A. (IT) 1998-05-20 EP disclosed
WO-1997005102-A1 2-(4-SUBSTITUTED)-BENZYLAMINO-2-METHYL-PROPANAMIDE DERIVATIVES PHARMACIA & UPJOHN S.P.A. (IT) 1997-02-13 WO disclosed