SCHEMBL4765665

SCHEMBL4765665

CNC(=O)CN1CCc2c(-c3cc(OC)cc(OC)c3)nn(-c3cc(N4CCC(O)C4)ccc3C(F)(F)F)c(=O)c21

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
F10 P00742 8/20 0.35
F2 P00734 3/20 0.35
P2RX7 Q99572 1/20 0.34
CXCR3 P49682 4/20 0.33
NOTUM Q6P988 2/20 0.33
CACNA1S Q13698 1/20 0.33
ABL1 P00519 1/20 0.32
ROCK2 O75116 1/20 0.32
GPR139 Q6DWJ6 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
SCHEMBL4765654 1.00 F10 (0.35) F10F2P2RX7CXCR3NOTUM
SCHEMBL4720070 0.93 F10 (0.34) F10F2P2RX7CXCR3NOTUM
SCHEMBL4720064 0.93 F10 (0.34) F10F2P2RX7CXCR3NOTUM
SCHEMBL4719091 0.93 F10 (0.36) F10F2P2RX7CXCR3NOTUM
SCHEMBL4719085 0.93 F10 (0.36) F10F2P2RX7CXCR3NOTUM
SCHEMBL4720618 0.92 F10 (0.36) F10F2P2RX7CXCR3NOTUM
SCHEMBL4720716 0.92 F10 (0.36) F10F2P2RX7CXCR3ABL1
SCHEMBL4720721 0.92 F10 (0.36) F10F2P2RX7CXCR3ABL1
SCHEMBL4720620 0.92 F10 (0.36) F10F2P2RX7CXCR3NOTUM
SCHEMBL4723789 0.92 F10 (0.36) F10F2P2RX7CXCR3ROCK2

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