SCHEMBL4724288

SCHEMBL4724288

COc1cc(OC)cc(-c2nn(-c3cc(N4CCCC4)ccc3C(F)(F)F)c(=O)c3c2CCN3CCO)c1

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
F10 P00742 16/20 0.40
F2 P00734 3/20 0.40
MAPT P10636 1/20 0.33
SLC16A3 O15427 1/20 0.33
SLC16A1 P53985 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
WDR5 P61964 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
SCHEMBL4721664 0.92 F10 (0.35) F10F2MAPTWDR5
SCHEMBL4723157 0.91 F10 (0.32) F10F2MAPTWDR5
SCHEMBL14101709 0.91 F10 (0.39) F10F2MAPTSLC16A3SLC16A1
SCHEMBL14101712 0.91 F10 (0.39) F10F2MAPTSLC16A3SLC16A1
SCHEMBL4722372 0.90 F10 (0.38) F10F2MAPTSLC16A3SLC16A1
SCHEMBL4721689 0.90 F10 (0.38) F10F2
SCHEMBL4724293 0.90 F10 (0.38) F10F2
SCHEMBL4723688 0.90 S1PR1 (0.35) F10F2WDR5
SCHEMBL4763492 0.90 F10 (0.34) F10F2MAPT
SCHEMBL4721691 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 2 patents. 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
EP-1953147-A1 HETEROCYCLIC COMPOUND AND MEDICINAL APPLICATION THEREOF Japan Tobacco, Inc. (JP) 2008-08-06 EP disclosed