SCHEMBL4720064

SCHEMBL4720064

CCNC(=O)CN1CCc2c(-c3cc(OC)cc(OC)c3)nn(-c3cc(N4CC[C@H](O)C4)ccc3C(F)(F)F)c(=O)c21

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
F10 P00742 7/20 0.34
F2 P00734 1/20 0.34
CXCR3 P49682 5/20 0.34
ACACB O00763 1/20 0.34
P2RX7 Q99572 1/20 0.33
AR P10275 1/20 0.33
NOTUM Q6P988 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32
MYC P01106 2/20 0.31
WDR5 P61964 2/20 0.31
ABL1 P00519 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
SCHEMBL4720070 1.00 F10 (0.34) F10F2CXCR3ACACBP2RX7
SCHEMBL4724059 0.94 KMT2A (0.34) F10F2CXCR3P2RX7NOTUM
SCHEMBL4724067 0.94 KMT2A (0.34) F10F2CXCR3P2RX7NOTUM
SCHEMBL4765665 0.93 F10 (0.35) F10F2CXCR3P2RX7NOTUM
SCHEMBL4765654 0.93 F10 (0.35) F10F2CXCR3P2RX7NOTUM
SCHEMBL4722850 0.93 F10 (0.33) F10F2CXCR3ACACBP2RX7
SCHEMBL4720066 0.93 F10 (0.33) F10F2CXCR3ACACBP2RX7
SCHEMBL4719264 0.93 NOTUM (0.40) F10F2CXCR3P2RX7NOTUM
SCHEMBL4722851 0.93 F10 (0.33) F10F2CXCR3ACACBP2RX7
SCHEMBL4719263 0.93 NOTUM (0.40) F10F2CXCR3P2RX7NOTUM

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