SCHEMBL9493084

SCHEMBL9493084

NC(=O)C(=O)Cc1cn(C2CCCCC2)c2ccccc12

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.58
KMT2A Q03164 1/20 0.58
KDM4E B2RXH2 3/20 0.53
OPRM1 P35372 14/20 0.42
OPRL1 P41146 14/20 0.42
OPRK1 P41145 11/20 0.41
ALDH1A1 P00352 2/20 0.41
GAA P10253 2/20 0.41
HPGD P15428 2/20 0.41
HSD17B10 Q99714 2/20 0.41
PTGDR2 Q9Y5Y4 1/20 0.41
OPRD1 P41143 2/20 0.41
PLK1 P53350 1/20 0.38

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
SCHEMBL24117805 0.78 PTGDR2 (0.53) MEN1KMT2AKDM4EOPRM1OPRL1
SCHEMBL28285317 0.77 MEN1 (0.82) MEN1KMT2AKDM4EOPRM1OPRL1
SCHEMBL15856598 0.76 OGFRL1 (0.53) MEN1KMT2AKDM4EOPRM1OPRL1
SCHEMBL15856601 0.76 OGFRL1 (0.50) MEN1KMT2AKDM4EOPRM1OPRL1
SCHEMBL17222490 0.76 OGFRL1 (0.53) MEN1KMT2AKDM4EOPRM1OPRL1
SCHEMBL17222491 0.76 OGFRL1 (0.53) MEN1KMT2AKDM4EOPRM1OPRL1
SCHEMBL7753647 0.75 OPRM1 (0.62) MEN1KMT2AKDM4EOPRM1OPRL1
SCHEMBL17232245 0.75 KDM4E (0.46) MEN1KMT2AKDM4EOPRM1OPRL1
SCHEMBL17232256 0.75 KDM4E (0.46) MEN1KMT2AKDM4EOPRM1OPRL1
SCHEMBL24117804 0.74 OPRL1 (0.49) KDM4EOPRM1OPRL1OPRK1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0321516-B1 3-INDOLEPYRUVIC ACID DERIVATIVES AND PHARMACEUTICAL USE THEREOF POLIFARMA S.p.A. (IT) 1993-03-03 EP disclosed
US-5002963-A Central Nervous System Disorders POLIFARMA S.P.A. (IT) 1991-03-26 US disclosed