SCHEMBL4723157

SCHEMBL4723157

COc1cc(OC)cc(-c2nn(-c3cc(N4CC(CO)C4)ccc3C(F)(F)F)c(=O)c3c2CCN3CCO)c1

nearest known ligand 0.32

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
F10 P00742 12/20 0.32
WDR5 P61964 2/20 0.32
F2 P00734 2/20 0.32
CXCR3 P49682 3/20 0.32
CCR1 P32246 1/20 0.30
LGALS3 P17931 1/20 0.30
MAPT P10636 1/20 0.30

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
SCHEMBL4766343 0.96 F10 (0.31) F10F2CXCR3
SCHEMBL4724909 0.96 PDE4A (0.32) F10F2
SCHEMBL4719683 0.94 SMN1; SMN2 (0.34) CXCR3LGALS3MAPT
SCHEMBL4721664 0.93 F10 (0.35) F10WDR5F2CXCR3LGALS3
SCHEMBL4721921 0.92 CXCR3 (0.33) F10WDR5F2CXCR3CCR1
SCHEMBL4723688 0.91 S1PR1 (0.35) F10WDR5F2CXCR3
SCHEMBL4724288 0.91 F10 (0.40) F10WDR5F2MAPT
SCHEMBL4720845 0.90 PDE4A (0.36) CXCR3CCR1LGALS3
SCHEMBL4724293 0.90 F10 (0.38) F10F2
SCHEMBL4721689 0.90 F10 (0.38) F10F2

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