SCHEMBL6165830

SCHEMBL6165830

NC(Cc1ccccc1Cl)C(=O)N1CCC(O)CC1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 2/20 0.55
AKT2 P31751 2/20 0.55
AKT3 Q9Y243 2/20 0.55
CYP51A1 Q16850 1/20 0.52
HDAC8 Q9BY41 4/20 0.51
HDAC3 O15379 1/20 0.51
HDAC1 Q13547 1/20 0.51
HDAC2 Q92769 1/20 0.51
HDAC6 Q9UBN7 1/20 0.51
DPP7 Q9UHL4 1/20 0.50
MC4R P32245 2/20 0.49
NLN Q9BYT8 2/20 0.46
OPRD1 P41143 3/20 0.46
POLB P06746 1/20 0.43
OPRK1 P41145 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
SCHEMBL6162786 1.00 AKT1 (0.55) AKT1AKT2AKT3CYP51A1HDAC8
Hydrochloric Acid SCHEMBL25268077 0.99 AKT1 (0.54) AKT1AKT2AKT3CYP51A1HDAC8
Hydrochloric Acid SCHEMBL25221908 0.99 AKT1 (0.54) AKT1AKT2AKT3CYP51A1HDAC8
SCHEMBL19576823 0.85 AKT1 (0.58) AKT1AKT2AKT3HDAC8HDAC3
SCHEMBL6052885 0.84 NLN (0.59) CYP51A1DPP7NLNOPRD1
SCHEMBL6165188 0.84 NLN (0.59) CYP51A1DPP7NLNOPRD1
Hydrochloric Acid SCHEMBL6163223 0.83 NLN (0.58) CYP51A1HDAC8DPP7NLNOPRD1
Hydrochloric Acid SCHEMBL6163217 0.83 NLN (0.58) CYP51A1HDAC8DPP7NLNOPRD1
SCHEMBL3133533 0.81 OPRD1 (0.65) AKT1AKT2AKT3HDAC8DPP7
SCHEMBL6161830 0.81 OPRD1 (0.65) AKT1AKT2AKT3HDAC8DPP7

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023107597-A2 BICYCLIC HETEROAROMATIC AMIDE COMPOUNDS AND USES THEREOF Kineta, Inc. (US) 2023-06-15 WO disclosed
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