SCHEMBL21173003

SCHEMBL21173003

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

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 5/20 0.41
OPRD1 P41143 5/20 0.41
MAPT P10636 1/20 0.40
HPGD P15428 1/20 0.40
ALOX15 P16050 1/20 0.39
HTR7 P34969 1/20 0.39
BRD4 O60885 4/20 0.39
MAPK14 Q16539 2/20 0.39
PARP1 P09874 2/20 0.38
GPR119 Q8TDV5 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
MTNR1A P48039 1/20 0.37

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
SCHEMBL21172756 0.88 HPGD (0.44) MAPTHPGDHDAC8
SCHEMBL21172979 0.88 OPRM1 (0.40) OPRM1OPRD1MAPTHPGDALOX15
SCHEMBL24348449 0.88 HPGD (0.44) MAPTHPGDHDAC8
SCHEMBL24347785 0.85 HTT (0.54) OPRM1MAPTHPGD
SCHEMBL21172697 0.85 BRD4 (0.46) MAPTHPGDALOX15HTR7BRD4
SCHEMBL21173170 0.85 BRD4 (0.46) MAPTHPGDALOX15HTR7BRD4
SCHEMBL21172686 0.83 SMN1; SMN2 (0.40) MAPTHPGDHDAC8
SCHEMBL21173204 0.82 MAPT (0.40) MAPTHPGDMAPK14HDAC8
SCHEMBL21172972 0.82 MAPT (0.40) MAPTHPGDMAPK14HDAC8
SCHEMBL21173163 0.81 TDP1 (0.47) MAPTHPGDALOX15

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-3511323-B1 2,3-DISUBSTITUTED 1-ACYL-4-AMINO-1,2,3,4-TETRAHYDROQUINOLINE DERIVATIVES AND THEIR USE AS BROMODOMAIN INHIBITORS GLAXOSMITHKLINE IP NO 2 LTD (GB) 2022-03-02 EP disclosed
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