SCHEMBL4719604

SCHEMBL4719604

COc1cc(OC)cc(-c2nn(-c3cc(N4CCC(F)(F)C4)ccc3C(F)(F)F)c(=O)c3c2ccn3CCO)c1

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
F10 P00742 12/20 0.33
MAOB P27338 1/20 0.32
MAPT P10636 2/20 0.31
P2RX3 P56373 1/20 0.31
ALOX5AP P20292 2/20 0.30
CACNA2D1 P54289 1/20 0.30
CACNA2D2 Q9NY47 1/20 0.30
HTT P42858 1/20 0.30
HTR6 P50406 1/20 0.30
CNR2 P34972 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
SCHEMBL4722027 0.92 KHK (0.34) F10MAPTHTTHTR6
SCHEMBL14101995 0.90 F10 (0.38) F10MAPTHTTHTR6
SCHEMBL4722250 0.87 F10 (0.37) F10MAOBHTR6
SCHEMBL4722255 0.87 F10 (0.37) F10MAOBHTR6
SCHEMBL4721425 0.86 F10 (0.33) F10MAPTHTTHTR6
SCHEMBL4719947 0.83 BACE1 (0.33) MAPTHTTHTR6CNR2
SCHEMBL4763492 0.83 F10 (0.34) F10MAPT
SCHEMBL4721308 0.82 ITGB2 (0.37) F10
SCHEMBL4721312 0.82 ITGB2 (0.37) F10
SCHEMBL4722039 0.82 ITGB2 (0.37) F10

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