SCHEMBL6166986

SCHEMBL6166986

COC(=O)[C@@H](N)C(C)c1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.58
PTGS1 P23219 1/20 0.47
PTGS2 P35354 1/20 0.47
DPP4 P27487 1/20 0.47
CYP3A4 P08684 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2D6 P10635 1/20 0.45
TSHR P16473 1/20 0.45
MAPK1 P28482 1/20 0.45
HSD17B10 Q99714 1/20 0.45
PRCP P42785 2/20 0.44
MEN1 O00255 2/20 0.44
LMNA P02545 2/20 0.44
ALDH1A1 P00352 1/20 0.44
ADRA2A P08913 1/20 0.42
ADRA2C P18825 1/20 0.42
HIF1A Q16665 1/20 0.42
KDM4E B2RXH2 1/20 0.42

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
SCHEMBL17065349 0.83 KMT2A (0.60) KMT2APTGS1PTGS2DPP4CYP3A4
SCHEMBL28111441 0.83 KMT2A (0.60) KMT2APTGS1PTGS2DPP4CYP3A4
SCHEMBL20543782 0.82 MMP8 (0.51) KMT2ADPP4TSHRMEN1ALDH1A1
SCHEMBL1166933 0.81 KMT2A (0.58) KMT2APTGS1PTGS2CYP3A4CYP1A2
SCHEMBL8229829 0.81 KMT2A (0.58) KMT2APTGS1PTGS2CYP3A4CYP1A2
Hydrochloric Acid SCHEMBL9024429 0.81 KMT2A (0.58) KMT2APTGS1PTGS2DPP4CYP3A4
Hydrochloric Acid SCHEMBL7581262 0.81 KMT2A (0.58) KMT2APTGS1PTGS2DPP4CYP3A4
SCHEMBL2502288 0.81 KMT2A (0.58) KMT2APTGS1PTGS2CYP3A4CYP1A2
SCHEMBL31477408 0.81 KMT2A (0.58) KMT2APTGS1PTGS2CYP3A4CYP1A2
SCHEMBL18079516 0.81 KMT2A (0.62) KMT2APTGS1PTGS2CYP3A4TSHR

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
WO-1996039384-A1 SUBSTITUTED N-(INDOLE-2-CARBONYL)-GLYCINAMIDES AND DERIVATIVES AS GLYCOGEN PHOSPHORYLASE INHIBITORS PFIZER, INC. (US) 1996-12-12 WO disclosed
CN-1082027-A Hydroxamic acid derivs HOFFMANN LA ROCHE (CH) 1994-02-16 CN disclosed