SCHEMBL4721173

SCHEMBL4721173

COc1cc(OC)cc(-c2nn(-c3cc(N4CC[C@H](O)C4)ccc3C(F)(F)F)c(=O)c3c2CCN3)c1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
F10 P00742 6/20 0.36
ITGB2 P05107 2/20 0.36
ICAM1 P05362 2/20 0.36
ITGAL P20701 2/20 0.36
P2RX7 Q99572 1/20 0.35
F2 P00734 1/20 0.35
PDE3B Q13370 2/20 0.35
PDE3A Q14432 2/20 0.35
PDE7A Q13946 1/20 0.33
ROCK2 O75116 1/20 0.33
HSD11B1 P28845 3/20 0.32
SOS1 Q07889 2/20 0.32
SLC40A1 Q9NP59 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
SCHEMBL4721178 1.00 F10 (0.36) F10ITGB2ICAM1ITGALP2RX7
SCHEMBL4766703 1.00 F10 (0.36) F10ITGB2ICAM1ITGALP2RX7
SCHEMBL4719080 0.96 P2RX7 (0.35) F10ITGB2ICAM1ITGALP2RX7
SCHEMBL4723190 0.96 P2RX7 (0.35) F10ITGB2ICAM1ITGALP2RX7
SCHEMBL4719076 0.96 P2RX7 (0.35) F10ITGB2ICAM1ITGALP2RX7
SCHEMBL4723039 0.95 P2RX7 (0.36) F10ITGB2ICAM1ITGALP2RX7
SCHEMBL4721390 0.93 P2RX7 (0.37) F10ITGB2ICAM1ITGALP2RX7
SCHEMBL4721388 0.93 P2RX7 (0.37) F10ITGB2ICAM1ITGALP2RX7
SCHEMBL4723711 0.90 P2RX7 (0.38) ITGB2ICAM1ITGALP2RX7PDE3B
SCHEMBL4723707 0.90 P2RX7 (0.38) ITGB2ICAM1ITGALP2RX7PDE3B

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