SCHEMBL4724775

SCHEMBL4724775

COc1cc(OC)cc(-c2nn(-c3cc(N4CC[C@H](O)C4)ccc3C(F)(F)F)c(=O)c3c2CCN3CC(=O)N2CCOCC2)c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.35
P2RX7 Q99572 1/20 0.34
F10 P00742 5/20 0.34
F2 P00734 1/20 0.34
CCR1 P32246 3/20 0.33
SYK P43405 3/20 0.33
USP2 O75604 1/20 0.33
KDM4E B2RXH2 1/20 0.33
NPC1 O15118 1/20 0.33
ALDH1A1 P00352 1/20 0.33
TP53 P04637 1/20 0.33
HPGD P15428 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HSD17B10 Q99714 1/20 0.33
CYP11B1 P15538 2/20 0.32
CYP11B2 P19099 2/20 0.32
PTGS2 P35354 1/20 0.32
CXCR3 P49682 1/20 0.32
CTSS P25774 1/20 0.32

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
SCHEMBL4724779 1.00 NOTUM (0.35) NOTUMP2RX7F10F2CCR1
SCHEMBL4719634 0.95 F10 (0.37) P2RX7F10F2CCR1CXCR3
SCHEMBL4719639 0.95 F10 (0.37) P2RX7F10F2CCR1CXCR3
SCHEMBL4721377 0.94 F10 (0.34) NOTUMP2RX7F10F2CCR1
SCHEMBL4722983 0.94 P2RX7 (0.36) P2RX7F10F2CCR1NPC1
SCHEMBL4722990 0.94 P2RX7 (0.36) P2RX7F10F2CCR1NPC1
SCHEMBL4721375 0.94 F10 (0.34) NOTUMP2RX7F10F2CCR1
SCHEMBL4719710 0.93 P2RX7 (0.35) P2RX7F10F2CCR1CXCR3
SCHEMBL4719706 0.93 P2RX7 (0.35) P2RX7F10F2CCR1CXCR3
SCHEMBL4720618 0.90 F10 (0.36) NOTUMP2RX7F10F2CXCR3

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