SCHEMBL5155400

SCHEMBL5155400

CC(C)N(C)C(=O)C(Cc1ccc(CN2CCCCC2)cc1)NC(=O)OC(C)(C)C

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ OPRK1 P41145 2/20 0.47
▸ ACE P12821 2/20 0.44
▸ ACACB O00763 1/20 0.43
▸ CTSS P25774 6/20 0.42
▸ CTSK P43235 5/20 0.42
▸ CTSL P07711 1/20 0.41
▸ CTSB P07858 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ PTPN1 P18031 1/20 0.41
▸ OPRM1 P35372 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ CACNA1B Q00975 1/20 0.41

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
SCHEMBL5155961 0.90 ACE (0.42) OPRK1ACEACACBCTSSCTSK
SCHEMBL5150891 0.89 ACE (0.44) ACECTSSCTSKCTSLCTSB
SCHEMBL5151229 0.83 KMT2A (0.52) ACEACACBCTSSCTSKKMT2A
SCHEMBL5151389 0.80 CTSS (0.46) ACECTSSCTSKCTSLCTSB
SCHEMBL5151169 0.80 CTSS (0.46) ACECTSSCTSKCTSLCTSB
SCHEMBL5150943 0.79 CTSS (0.53) ACECTSSCTSKCTSLCTSB
SCHEMBL5229085 0.79 CTSS (0.45) ACECTSSCTSKCTSLCTSB
SCHEMBL5151231 0.79 CTSS (0.53) ACECTSSCTSKCTSLCTSB
SCHEMBL5233793 0.79 CACNA1B (0.50) ACECTSSCTSKCTSLCTSB
SCHEMBL14847021 0.78 HRH3 (0.49) ACACB

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1373233-B1 DERIVATIVES OF N-(ARYLSULFONYL)BETA-AMINOACIDS COMPRISING A SUBSTITUTED AMINOMETHYL GROUP, THE PREPARATION METHOD THEREOF AND THE PHARMACEUTICAL COMPOSITIONS CONTAINING SAME SANOFI AVENTIS (FR) 2007-09-05 — — EP disclosed
CN-1297546-C N- (arylsulfonyl) -beta-amino acid derivatives with substituted aminomethyl group, process for their preparation and pharmaceutical compositions containing them SANOFI SYNTHELABO (FR) 2007-01-31 — — CN disclosed
US-7157454-B2 Derivatives of n-(arylsulfonyl)beta-aminoacids comprising a substituted aminomethyl group, the preparation method thereof and the pharmaceutical compositions containing same SANOFI-AVENTIS (FR) 2007-01-02 — — US disclosed
CN-1541211-A Derivatives of N-(arylsulfonyl) beta-aminoacids comprising substituted aminomethyl group, prepn. method thereof and pharmaceutical compsns. contg same ʥŵ��-�ϳ�ʵ���ҹ�˾ 2004-10-27 — — CN disclosed
US-20040116353-A1 Derivatives of n-(arylsulfonyl)beta-aminoacids comprising a substituted aminomethyl group, the preparation method thereof and the pharmaceutical compositions containing same SANOFI (FR) 2004-06-17 — — US disclosed
EP-1373233-A1 DERIVATIVES OF N-(ARYLSULFONYL)BETA-AMINOACIDS COMPRISING A SUBSTITUTED AMINOMETHYL GROUP, THE PREPARATION METHOD THEREOF AND THE PHARMACEUTICAL COMPOSITIONS CONTAINING SAME Sanofi-Aventis (FR) 2004-01-02 — — EP disclosed
WO-2002076964-A1 DERIVATIVES OF N-(ARYLSULFONYL)BETA-AMINOACIDS COMPRISING A SUBSTITUTED AMINOMETHYL GROUP, THE PREPARATION METHOD THEREOF AND THE PHARMACEUTICAL COMPOSITIONS CONTAINING SAME SANOFI-SYNTHELABO (FR) 2002-10-03 — — WO disclosed
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