SCHEMBL6165524

SCHEMBL6165524

CCC(C)OC(=O)C(Cc1ccc(C2=NCCN2)cc1)(NC(C)=O)C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NISCH Q9Y2I1 11/20 0.45
ALDH1A1 P00352 1/20 0.39
RECQL P46063 1/20 0.39
ADRA1A P35348 2/20 0.38
PPARG P37231 1/20 0.36
UBE2N P61088 1/20 0.36
PAX8 Q06710 1/20 0.36
LMNA P02545 1/20 0.36
HTR1D P28221 1/20 0.36
BLM P54132 1/20 0.34
TDP1 Q9NUW8 1/20 0.34

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
SCHEMBL6160956 0.86 NISCH (0.56) NISCHADRA1APPARGUBE2NPAX8
SCHEMBL6165512 0.81 ALDH1A1 (0.58) NISCHALDH1A1RECQLADRA1APPARG
SCHEMBL589165 0.78 ALDH1A1 (0.47) ALDH1A1RECQLLMNA
SCHEMBL5365453 0.74 ALDH1A1 (0.42) ALDH1A1RECQL
SCHEMBL5359741 0.72 ALDH1A1 (0.43) ALDH1A1RECQLLMNA
SCHEMBL5361416 0.72 ALDH1A1 (0.43) ALDH1A1RECQL
SCHEMBL5366585 0.71 ALDH1A1 (0.42) ALDH1A1RECQLPPARG
SCHEMBL6295222 0.71 ALDH1A1 (0.46) ALDH1A1RECQL
SCHEMBL5365525 0.71 ALDH1A1 (0.39) ALDH1A1RECQL
SCHEMBL5363745 0.71 ACACB (0.42) ALDH1A1RECQLLMNA

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 5 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