SCHEMBL4722248

SCHEMBL4722248

COc1cc(OC)cc(-n2cc(-c3cc(N4CCC(O)C4)ccc3C(F)(F)F)c(=O)c3c2CCC3)c1

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ACACB O00763 1/20 0.36
P2RX7 Q99572 1/20 0.36
UGCG Q16739 1/20 0.36
NOTUM Q6P988 6/20 0.35
F10 P00742 3/20 0.35
F2 P00734 1/20 0.35

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
SCHEMBL4722241 1.00 ACACB (0.36) ACACBP2RX7UGCGNOTUMF10
SCHEMBL14101837 0.88 F10 (0.40) UGCGF10F2
SCHEMBL4720966 0.81 EGFR (0.35) UGCG
SCHEMBL4722070 0.80 P2RX7 (0.39) P2RX7NOTUMF10F2
SCHEMBL4722067 0.80 P2RX7 (0.39) P2RX7NOTUMF10F2
SCHEMBL4720518 0.79 ITGB2 (0.35) ACACBP2RX7NOTUMF10F2
SCHEMBL4720758 0.79 CDK1 (0.35) ACACBP2RX7NOTUMF10F2
SCHEMBL4720760 0.79 CDK1 (0.35) ACACBP2RX7NOTUMF10F2
SCHEMBL4720516 0.79 ITGB2 (0.35) ACACBP2RX7NOTUMF10F2
SCHEMBL4721351 0.79 P2RX7 (0.34) ACACBP2RX7NOTUMF10F2

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-1953147-A1 HETEROCYCLIC COMPOUND AND MEDICINAL APPLICATION THEREOF Japan Tobacco, Inc. (JP) 2008-08-06 EP disclosed