SCHEMBL4370646

SCHEMBL4370646

N#Cc1cnc(Oc2ccc(C(F)(F)F)cc2)nc1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.47
LTA4H P09960 2/20 0.42
CYP3A4 P08684 1/20 0.40
CYP3A5 P20815 1/20 0.40
MAOB P27338 4/20 0.37
KDM1A O60341 1/20 0.37
CYP19A1 P11511 1/20 0.37
VNN1 O95497 1/20 0.37
MAPT P10636 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
TTBK1 Q5TCY1 1/20 0.36
KCNH2 Q12809 2/20 0.36
SCN9A Q15858 2/20 0.36
GRM4 Q14833 1/20 0.36
SCN5A Q14524 1/20 0.36

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
SCHEMBL458229 0.79 KIF11 (0.68) KIF11LTA4HCYP3A4CYP3A5CYP19A1
SCHEMBL4374065 0.78 THRB (0.47) LTA4HMAOBMAPTNPSR1TTBK1
SCHEMBL21045811 0.75 DGAT1 (0.44) KIF11LTA4HCYP19A1MAPTNPSR1
SCHEMBL6982061 0.75 MAPT (0.57) KIF11MAPTNPSR1SCN9A
SCHEMBL4371648 0.74 MAOB (0.54) LTA4HMAOBMAPTKCNH2SCN9A
SCHEMBL4371434 0.73 SRD5A2 (0.49) MAPTGRM4
SCHEMBL4371705 0.72 MAOB (0.54) KIF11MAOBMAPTSCN9AGRM4
SCHEMBL4372801 0.72 GRM4 (0.52) MAOBMAPTGRM4
SCHEMBL8483343 0.71 LTA4H (0.49) KIF11LTA4HMAOBMAPT
SCHEMBL11097560 0.71 MEN1 (0.45) KIF11LTA4HMAPTNPSR1SCN9A

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
WO-2009117421-A2 HETEROCYCLIC MODULATORS OF GPR119 FOR TREATMENT OF DISEASE KALYPSYS, INC. (US) 2009-09-24 WO disclosed
WO-2009117421-A2 HETEROCYCLIC MODULATORS OF GPR119 FOR TREATMENT OF DISEASE KALYPSYS, INC. (US) 2009-09-24 WO disclosed