SCHEMBL6163776

SCHEMBL6163776

CC(C)(C)OC(=O)N[C@@H](CO)C(=O)N1CCC(O)CC1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.48
KMT2A Q03164 3/20 0.47
MAPK1 P28482 1/20 0.46
HRH2 P25021 1/20 0.46
HRH1 P35367 1/20 0.46
ALDH1A1 P00352 1/20 0.45
LMNA P02545 1/20 0.45
MEN1 O00255 1/20 0.45
ITGB3 P05106 5/20 0.42
ITGA2B P08514 5/20 0.42
CTSS P25774 1/20 0.41
CTSK P43235 1/20 0.41
PABPC1 P11940 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC4 P56524 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40

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
SCHEMBL6163781 1.00 TSHR (0.48) TSHRKMT2AMAPK1HRH2HRH1
SCHEMBL9103277 0.87 TSHR (0.52) TSHRKMT2AMAPK1ALDH1A1LMNA
SCHEMBL9103275 0.87 TSHR (0.52) TSHRKMT2AMAPK1ALDH1A1LMNA
SCHEMBL9718051 0.86 HRH2 (0.48) TSHRKMT2AHRH2HRH1ITGB3
SCHEMBL23845159 0.86 HRH2 (0.48) TSHRKMT2AHRH2HRH1ITGB3
SCHEMBL5141590 0.86 TSHR (0.46) TSHRKMT2AMAPK1HRH2HRH1
SCHEMBL2799374 0.83 HRH2 (0.52) TSHRKMT2AMAPK1HRH2HRH1
SCHEMBL4976989 0.83 HRH2 (0.49) TSHRKMT2AMAPK1HRH2HRH1
SCHEMBL2801270 0.83 HRH2 (0.52) TSHRKMT2AMAPK1HRH2HRH1
SCHEMBL3784011 0.83 HRH2 (0.52) TSHRKMT2AMAPK1HRH2HRH1

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 8 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
EP-0832065-A1 SUBSTITUTED N-(INDOLE-2-CARBONYL)-GLYCINAMIDES AND DERIVATIVES AS GLYCOGEN PHOSPHORYLASE INHIBITORS PFIZER INC. (US) 1998-04-01 EP disclosed
CN-1142492-A Substituted N-(indole-2-carbonyl)-glycinamides and derivatives as antidiabetic agents PFIZER (US) 1997-02-12 CN disclosed
WO-1996039384-A1 SUBSTITUTED N-(INDOLE-2-CARBONYL)-GLYCINAMIDES AND DERIVATIVES AS GLYCOGEN PHOSPHORYLASE INHIBITORS PFIZER, INC. (US) 1996-12-12 WO disclosed