SCHEMBL13708897

SCHEMBL13708897

COc1cccc(Cn2c(=O)c3c(OC)c(C(=O)NC4CCNCC4)n(C)c3c3ccccc32)c1

nearest known ligand 0.70

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ F10 P00742 2/20 0.46
▸ DRD4 P21917 2/20 0.46
▸ RXFP1 Q9HBX9 2/20 0.44
▸ TP53 P04637 1/20 0.44
▸ CHRM1 P11229 1/20 0.43
▸ BRD4 O60885 1/20 0.43
▸ EDNRB P24530 1/20 0.42
▸ EDNRA P25101 1/20 0.42
▸ MAPT P10636 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
SCHEMBL10314502 0.91 HDAC1 (0.44) DRD4RXFP1
Hydrochloric Acid SCHEMBL1061359 0.91 HDAC1 (0.43) DRD4RXFP1
SCHEMBL1083650 0.88 F10 (0.47) F10DRD4RXFP1TP53
SCHEMBL1060724 0.83 SMO (0.45) —
SCHEMBL17667836 0.82 F10 (0.41) F10DRD4TP53
SCHEMBL1057353 0.82 SMO (0.47) F10DRD4TP53
SCHEMBL1062334 0.80 SMO (0.42) F10DRD4TP53
SCHEMBL1061924 0.80 DRD4 (0.49) DRD4TP53
SCHEMBL1063452 0.78 SMO (0.43) —
SCHEMBL1062906 0.78 DRD4 (0.43) DRD4TP53

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
WO-2009107850-A2 FUSED HETEROCYCLIC DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-09-03 — — WO disclosed
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