SCHEMBL3937754

SCHEMBL3937754

Nc1cc(CCc2ccc(F)cc2)[nH]n1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.49
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
GFER P55789 1/20 0.49
DAO P14920 2/20 0.46
TAAR1 Q96RJ0 1/20 0.44
MAOB P27338 1/20 0.43
MPO P05164 1/20 0.40
PTGS1 P23219 1/20 0.40
PTGS2 P35354 1/20 0.40
AOC3 Q16853 1/20 0.38
DHFR P00374 1/20 0.38
CYP19A1 P11511 1/20 0.38

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
SCHEMBL17967278 0.84 MKNK1 (0.54) MAPTNPC1RAB9AGFERDAO
SCHEMBL3937519 0.84 DAO (0.45) MAPTNPC1RAB9AGFERDAO
SCHEMBL3947733 0.84 COMT (0.49) MAPTNPC1RAB9AGFERDAO
SCHEMBL3940488 0.82 HRH4 (0.47) MAPTNPC1RAB9AGFERCYP19A1
SCHEMBL3947954 0.81 TAAR1 (0.51) NPC1RAB9ADAOTAAR1MPO
SCHEMBL4016450 0.80 DYRK1A (0.58) MAPTNPC1RAB9AGFERDAO
SCHEMBL3940325 0.78 DAO (0.50) MAPTNPC1RAB9AGFERDAO
SCHEMBL4009916 0.77 NOS1 (0.42) MAPTNPC1RAB9AGFER
SCHEMBL24622020 0.75 PTGS1 (0.40) DAOTAAR1PTGS1PTGS2DHFR
SCHEMBL4018767 0.75 NPC1 (0.39) MAPTNPC1RAB9AGFER

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
WO-2009016410-A2 CHEMICAL COMPOUNDS 831 ASTRAZENECA AB (SE) 2009-02-05 WO disclosed