SCHEMBL4720618

SCHEMBL4720618

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

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
F10 P00742 8/20 0.36
F2 P00734 2/20 0.36
P2RX7 Q99572 1/20 0.35
CXCR3 P49682 3/20 0.33
SLC6A9 P48067 1/20 0.33
ROCK2 O75116 1/20 0.33
NOTUM Q6P988 1/20 0.33
RORC P51449 1/20 0.32
KDM1A O60341 1/20 0.32
S1PR1 P21453 1/20 0.32
FFAR1 O14842 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
SCHEMBL4720620 1.00 F10 (0.36) F10F2P2RX7CXCR3SLC6A9
SCHEMBL4720716 0.94 F10 (0.36) F10F2P2RX7CXCR3SLC6A9
SCHEMBL4720721 0.94 F10 (0.36) F10F2P2RX7CXCR3SLC6A9
SCHEMBL4719085 0.94 F10 (0.36) F10F2P2RX7CXCR3ROCK2
SCHEMBL4723793 0.94 F10 (0.36) F10F2P2RX7CXCR3ROCK2
SCHEMBL4719091 0.94 F10 (0.36) F10F2P2RX7CXCR3ROCK2
SCHEMBL4723789 0.94 F10 (0.36) F10F2P2RX7CXCR3ROCK2
SCHEMBL4722522 0.93 F10 (0.35) F10F2P2RX7CXCR3SLC6A9
SCHEMBL4722526 0.93 F10 (0.35) F10F2P2RX7CXCR3SLC6A9
SCHEMBL4719634 0.92 F10 (0.37) F10F2P2RX7CXCR3

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