SCHEMBL14101712

SCHEMBL14101712

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

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
F10 P00742 12/20 0.39
F2 P00734 3/20 0.39
SLC16A3 O15427 2/20 0.34
SLC16A1 P53985 2/20 0.34
MAPT P10636 1/20 0.34
CCR1 P32246 3/20 0.33
ALPL P05186 1/20 0.33
ALPI P09923 1/20 0.33
CXCR3 P49682 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
SCHEMBL14101709 0.94 F10 (0.39) F10F2SLC16A3SLC16A1MAPT
SCHEMBL4722372 0.93 F10 (0.38) F10F2SLC16A3SLC16A1MAPT
SCHEMBL4724288 0.91 F10 (0.40) F10F2SLC16A3SLC16A1MAPT
SCHEMBL14101737 0.90 CCR1 (0.39) F10F2MAPTCCR1
SCHEMBL14101703 0.90 F10 (0.36) F10F2SLC16A3SLC16A1MAPT
SCHEMBL4720721 0.90 F10 (0.36) F10F2CXCR3
SCHEMBL4720716 0.90 F10 (0.36) F10F2CXCR3
SCHEMBL4720459 0.88 F10 (0.40) F10F2SLC16A3SLC16A1MAPT
SCHEMBL4720196 0.87 TDP1 (0.38) F10F2MAPTCCR1CXCR3
SCHEMBL14101989 0.86 ADRA1D (0.39) MAPT

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