SCHEMBL4371648

SCHEMBL4371648

NCc1cnc(Oc2ccc(C(F)(F)F)cc2)nc1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAOB P27338 7/20 0.54
AOC3 Q16853 1/20 0.41
TAAR1 Q96RJ0 1/20 0.41
IDO1 P14902 2/20 0.40
LTA4H P09960 1/20 0.39
KCNH2 Q12809 2/20 0.39
SCN9A Q15858 2/20 0.39
SCN5A Q14524 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
ATM Q13315 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
ST14 Q9Y5Y6 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 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
SCHEMBL24401094 0.81 LOXL2 (0.41) MAOBSCN9A
SCHEMBL922221 0.79 MAOB (0.69) MAOBTAAR1IDO1LTA4HST14
SCHEMBL4374065 0.78 THRB (0.47) MAOBLTA4HKCNH2SCN9ASCN5A
Hydrochloric Acid SCHEMBL4373482 0.78 MAOB (0.72) MAOBTAAR1IDO1LTA4HST14
SCHEMBL9106039 0.75 SMN1; SMN2 (0.42) MAOBSCN9ALMNAMAPT
SCHEMBL4371705 0.75 MAOB (0.54) MAOBSCN9AALDH1A1LMNAMAPT
SCHEMBL9106047 0.74 LMNA (0.42) MAOBSCN9AALDH1A1LMNAMAPT
SCHEMBL4370646 0.74 KIF11 (0.47) MAOBLTA4HKCNH2SCN9ASCN5A
SCHEMBL17136438 0.74 LOXL2 (0.66) MAOB
SCHEMBL4371434 0.73 SRD5A2 (0.49) ALDH1A1LMNAMAPTL3MBTL1

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