SCHEMBL21172979

SCHEMBL21172979

CCNC(=O)c1ccc2c(c1)C[C@@H](C)[C@H](CC)N2C

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 4/20 0.40
OPRD1 P41143 4/20 0.40
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39
ALOX15 P16050 1/20 0.38
HTR7 P34969 1/20 0.38
BRD4 O60885 5/20 0.38
MAPK14 Q16539 2/20 0.37
PARP1 P09874 2/20 0.36
GPR119 Q8TDV5 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
SMYD3 Q9H7B4 1/20 0.36
CCL2 P13500 1/20 0.36

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
SCHEMBL21172653 0.90 HPGD (0.41) MAPTHPGDHDAC8SMYD3
SCHEMBL24347808 0.90 HPGD (0.41) MAPTHPGDHDAC8SMYD3
SCHEMBL21173003 0.88 OPRM1 (0.41) OPRM1OPRD1MAPTHPGDALOX15
SCHEMBL21172994 0.88 HTT (0.51) OPRM1MAPTHPGDALOX15
SCHEMBL21172638 0.88 HTT (0.51) OPRM1MAPTHPGDALOX15
SCHEMBL24347629 0.86 PRKD1 (0.38) MAPTHPGDHDAC8SMYD3
SCHEMBL21172586 0.85 TDP1 (0.43) MAPTHPGDALOX15
SCHEMBL21172982 0.85 TDP1 (0.43) MAPTHPGDALOX15
SCHEMBL21172656 0.84 KDM4E (0.46) OPRM1OPRD1MAPTHPGDHDAC8
SCHEMBL21172935 0.83 POLB (0.56) HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3511323-A1 2,3-DISUBSTITUTED 1-ACYL-4-AMINO-1,2,3,4-TETRAHYDROQUINOLINE DERIVATIVES AND THEIR USE AS BROMODOMAIN INHIBITORS GlaxoSmithKline Intellectual Property (No.2) Limited (GB) 2019-07-17 EP disclosed