SCHEMBL6162882

SCHEMBL6162882

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

nearest known ligand 0.63

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CTSS P25774 7/20 0.63
CTSK P43235 6/20 0.63
CTSL P07711 2/20 0.50
CTSB P07858 2/20 0.50
ITGB3 P05106 1/20 0.48
ITGA2B P08514 1/20 0.48
ACE P12821 1/20 0.48
MMP9 P14780 2/20 0.47
MMP8 P22894 2/20 0.47
MMP14 P50281 1/20 0.47
PPARA Q07869 2/20 0.46
PPARG P37231 1/20 0.45
BCL2 P10415 1/20 0.44

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
SCHEMBL6162894 1.00 CTSS (0.63) CTSSCTSKCTSLCTSBITGB3
SCHEMBL9963893 0.89 CTSS (0.60) CTSSCTSKCTSLCTSBITGB3
SCHEMBL6162450 0.88 CTSS (0.50) CTSSCTSKCTSLCTSBITGB3
SCHEMBL6162459 0.88 CTSS (0.50) CTSSCTSKCTSLCTSBITGB3
SCHEMBL18227042 0.88 CTSS (0.50) CTSSCTSKCTSLCTSBITGB3
SCHEMBL6162474 0.88 CTSS (0.64) CTSSCTSKCTSLCTSBACE
SCHEMBL1764798 0.88 CTSS (0.64) CTSSCTSKCTSLCTSBACE
SCHEMBL3701013 0.87 CTSS (0.66) CTSSCTSKCTSLCTSBACE
SCHEMBL3701014 0.87 CTSS (0.66) CTSSCTSKCTSLCTSBACE
SCHEMBL6020190 0.87 CTSS (0.67) CTSSCTSKCTSLCTSB

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