SCHEMBL4719068

SCHEMBL4719068

COc1cc(OC)cc(-c2nn(-c3cc(N4CCC(O)C4)ccc3C(F)(F)F)c(=O)c3c2CCCN3CCO)c1

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
F10 P00742 6/20 0.36
F2 P00734 1/20 0.36
P2RX7 Q99572 1/20 0.35
PDE7A Q13946 1/20 0.33
ROCK2 O75116 1/20 0.33
UGCG Q16739 1/20 0.32
PDE3B Q13370 2/20 0.32
PDE3A Q14432 2/20 0.32
ITGB2 P05107 1/20 0.31
ICAM1 P05362 1/20 0.31
ITGAL P20701 1/20 0.31
RORC P51449 1/20 0.31
MCHR1 Q99705 1/20 0.31
SYK P43405 1/20 0.31

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
SCHEMBL4719066 1.00 F10 (0.36) F10F2P2RX7PDE7AROCK2
SCHEMBL4721691 0.96 F10 (0.38) F10F2P2RX7PDE7AROCK2
SCHEMBL4724293 0.96 F10 (0.38) F10F2P2RX7PDE7AROCK2
SCHEMBL4721689 0.96 F10 (0.38) F10F2P2RX7PDE7AROCK2
SCHEMBL4723307 0.92 F10 (0.37) F10F2P2RX7PDE7AROCK2
SCHEMBL4723300 0.92 F10 (0.37) F10F2P2RX7PDE7AROCK2
SCHEMBL4721664 0.91 F10 (0.35) F10F2
SCHEMBL4722397 0.91 P2RX7 (0.37) F10F2P2RX7PDE7AUGCG
SCHEMBL4722405 0.91 P2RX7 (0.37) F10F2P2RX7PDE7AUGCG
SCHEMBL4724909 0.90 PDE4A (0.32) F10F2UGCG

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