SCHEMBL6163421

SCHEMBL6163421

NC(Cc1cccc(Cl)c1)C(=O)N1CCC(O)CC1

nearest known ligand 0.61

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 3/20 0.61
DPP7 Q9UHL4 2/20 0.57
AKT1 P31749 1/20 0.56
AKT2 P31751 1/20 0.56
AKT3 Q9Y243 1/20 0.56
OPRD1 P41143 2/20 0.49
CYP51A1 Q16850 3/20 0.47
PYGL P06737 1/20 0.47
OPRK1 P41145 1/20 0.46
DPP4 P27487 2/20 0.46
PNMT P11086 1/20 0.46
SMYD3 Q9H7B4 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
SCHEMBL25222625 0.85 HDAC8 (0.67) HDAC8AKT1AKT2AKT3PNMT
SCHEMBL6161830 0.84 OPRD1 (0.65) HDAC8DPP7AKT1AKT2AKT3
SCHEMBL3133533 0.84 OPRD1 (0.65) HDAC8DPP7AKT1AKT2AKT3
Hydrochloric Acid SCHEMBL25271343 0.84 HDAC8 (0.65) HDAC8AKT1AKT2AKT3PNMT
Hydrochloric Acid SCHEMBL25224933 0.84 HDAC8 (0.65) HDAC8AKT1AKT2AKT3PNMT
Hydrochloric Acid SCHEMBL6166049 0.83 DPP7 (0.67) DPP7AKT1AKT2AKT3CYP51A1
Hydrochloric Acid SCHEMBL6166042 0.83 DPP7 (0.67) DPP7AKT1AKT2AKT3CYP51A1
Hydrochloric Acid SCHEMBL6163295 0.83 HDAC8 (0.63) HDAC8DPP7AKT1AKT2AKT3
Hydrochloric Acid SCHEMBL6163301 0.83 HDAC8 (0.63) HDAC8DPP7AKT1AKT2AKT3
Hydrochloric Acid SCHEMBL6165745 0.83 HDAC8 (0.63) HDAC8DPP7AKT1AKT2AKT3

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