SCHEMBL6162450

SCHEMBL6162450

CN(C)C(=O)[C@H](Cc1ccc(N)cc1)NC(=O)OC(C)(C)C

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CTSS P25774 7/20 0.50
CTSK P43235 6/20 0.50
CTSB P07858 2/20 0.49
CTSL P07711 1/20 0.49
ITGB3 P05106 1/20 0.47
ITGA2B P08514 1/20 0.47
ACE P12821 1/20 0.47
MMP9 P14780 2/20 0.46
MMP8 P22894 2/20 0.46
MMP14 P50281 1/20 0.46
KLK5 Q9Y337 1/20 0.44
HDAC8 Q9BY41 1/20 0.43
AKT1 P31749 1/20 0.43
PPARG P37231 1/20 0.43
PPARA Q07869 1/20 0.43

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
SCHEMBL6162459 1.00 CTSS (0.50) CTSSCTSKCTSBCTSLITGB3
Dimethylamine SCHEMBL9053140 0.96 CTSS (0.47) CTSSCTSKCTSBCTSLITGB3
SCHEMBL18227042 0.90 CTSS (0.50) CTSSCTSKCTSBCTSLITGB3
SCHEMBL6162882 0.88 CTSS (0.63) CTSSCTSKCTSBCTSLITGB3
SCHEMBL6162894 0.88 CTSS (0.63) CTSSCTSKCTSBCTSLITGB3
SCHEMBL6162474 0.87 CTSS (0.64) CTSSCTSKCTSBCTSLACE
SCHEMBL1764798 0.87 CTSS (0.64) CTSSCTSKCTSBCTSLACE
SCHEMBL3701014 0.86 CTSS (0.66) CTSSCTSKCTSBCTSLACE
SCHEMBL3701013 0.86 CTSS (0.66) CTSSCTSKCTSBCTSLACE
SCHEMBL10209860 0.85 CTSS (0.51) CTSSCTSKCTSBCTSLITGB3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1134213-B1 Process for the preparation of substituted N-(indole-2-carbonyl)- glycinamides PFIZER (US) 2005-11-02 EP disclosed
EP-0832065-B1 SUBSTITUTED N-(INDOLE-2-CARBONYL)-GLYCINAMIDES AND DERIVATIVES AS GLYCOGEN PHOSPHORYLASE INHIBITORS PFIZER (US) 2001-10-10 EP disclosed
EP-1134213-A2 Process for the preparation of substituted N-(indole-2-carbonyl)- glycinamides PFIZER INC. (US) 2001-09-19 EP disclosed
US-6277877-B1 GLYCOGEN PHOSPHORYLASE INHIBITOR; ANTIDIABETIC AGENTS PFIZER, INC. 2001-08-21 US disclosed
US-6107329-A HYPOTENSIVE AGENTS; CARDIOVASCULAR DISORDERS PFIZER, INC. (US) 2000-08-22 US disclosed
WO-1996039384-A1 SUBSTITUTED N-(INDOLE-2-CARBONYL)-GLYCINAMIDES AND DERIVATIVES AS GLYCOGEN PHOSPHORYLASE INHIBITORS PFIZER, INC. (US) 1996-12-12 WO disclosed