SCHEMBL14101737

SCHEMBL14101737

COc1cc(OC)cc(-c2nn(-c3cc(N4CCCC4)ccc3C(F)(F)F)c(=O)c3c2CCN3CC(=O)N2CCN(C)CC2)c1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 13/20 0.39
F2 P00734 1/20 0.36
F10 P00742 1/20 0.36
CYP2C19 P33261 1/20 0.36
KCNH2 Q12809 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
MAPK1 P28482 1/20 0.35
MAPT P10636 1/20 0.35
ALOX15 P16050 2/20 0.35
HSD17B10 Q99714 1/20 0.35

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
SCHEMBL4722983 0.91 P2RX7 (0.36) CCR1F2F10CYP2C19KCNH2
SCHEMBL4722990 0.91 P2RX7 (0.36) CCR1F2F10CYP2C19KCNH2
SCHEMBL14101709 0.90 F10 (0.39) CCR1F2F10MAPT
SCHEMBL14101712 0.90 F10 (0.39) CCR1F2F10MAPT
SCHEMBL4722372 0.90 F10 (0.38) CCR1F2F10MAPT
SCHEMBL4721377 0.88 F10 (0.34) CCR1F2F10
SCHEMBL4721375 0.88 F10 (0.34) CCR1F2F10
SCHEMBL4724288 0.87 F10 (0.40) F2F10MAPT
SCHEMBL14101703 0.87 F10 (0.36) F2F10CYP2C19MAPT
SCHEMBL4719639 0.86 F10 (0.37) CCR1F2F10CYP2C19KCNH2

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