SCHEMBL4719634

SCHEMBL4719634

COc1cc(OC)cc(-c2nn(-c3cc(N4CC[C@H](O)C4)ccc3C(F)(F)F)c(=O)c3c2CCN3CC(=O)N2CCC(O)CC2)c1

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
F10 P00742 6/20 0.37
CCR1 P32246 11/20 0.35
P2RX7 Q99572 1/20 0.35
F2 P00734 1/20 0.35
CXCR3 P49682 2/20 0.33
CYP2C19 P33261 1/20 0.33
KCNH2 Q12809 1/20 0.33

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
SCHEMBL4719639 1.00 F10 (0.37) F10CCR1P2RX7F2CXCR3
SCHEMBL4721377 0.96 F10 (0.34) F10CCR1P2RX7F2CXCR3
SCHEMBL4722990 0.96 P2RX7 (0.36) F10CCR1P2RX7F2CXCR3
SCHEMBL4722983 0.96 P2RX7 (0.36) F10CCR1P2RX7F2CXCR3
SCHEMBL4721375 0.96 F10 (0.34) F10CCR1P2RX7F2CXCR3
SCHEMBL4719706 0.95 P2RX7 (0.35) F10CCR1P2RX7F2CXCR3
SCHEMBL4719710 0.95 P2RX7 (0.35) F10CCR1P2RX7F2CXCR3
SCHEMBL4724779 0.95 NOTUM (0.35) F10CCR1P2RX7F2CXCR3
SCHEMBL4724775 0.95 NOTUM (0.35) F10CCR1P2RX7F2CXCR3
SCHEMBL4720618 0.92 F10 (0.36) F10P2RX7F2CXCR3

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