SCHEMBL4722397

SCHEMBL4722397

COc1cc(OC)cc(-c2nn(-c3cc(N4CC[C@H](O)C4)ccc3C(F)(F)F)c(=O)c3c2CCCN3C)c1

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 1/20 0.37
F10 P00742 6/20 0.35
F2 P00734 1/20 0.35
PDE3B Q13370 2/20 0.33
PDE3A Q14432 2/20 0.33
UGCG Q16739 1/20 0.33
PDE7A Q13946 1/20 0.33
ITGB2 P05107 1/20 0.33
ICAM1 P05362 1/20 0.33
ITGAL P20701 1/20 0.33
RORC P51449 1/20 0.33
HSD11B1 P28845 3/20 0.32
SOS1 Q07889 2/20 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
SCHEMBL4722405 1.00 P2RX7 (0.37) P2RX7F10F2PDE3BPDE3A
SCHEMBL4723714 0.95 F10 (0.37) P2RX7F10F2PDE3BPDE3A
SCHEMBL4723706 0.95 F10 (0.37) P2RX7F10F2PDE3BPDE3A
SCHEMBL4719498 0.91 P2RX7 (0.38) P2RX7F10F2PDE3BPDE3A
SCHEMBL4719501 0.91 P2RX7 (0.38) P2RX7F10F2PDE3BPDE3A
SCHEMBL4724695 0.91 P2RX7 (0.38) P2RX7F10F2PDE3BPDE3A
SCHEMBL4719068 0.91 F10 (0.36) P2RX7F10F2PDE3BPDE3A
SCHEMBL4719066 0.91 F10 (0.36) P2RX7F10F2PDE3BPDE3A
SCHEMBL14101806 0.89 F10 (0.40) F10F2
SCHEMBL4766330 0.88 P2RX7 (0.36) P2RX7F10F2PDE3BPDE3A

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