SCHEMBL4368145

SCHEMBL4368145

NCc1ccc(Oc2cnc(C(F)(F)F)cn2)cc1

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 8/20 0.48
LOX P28300 3/20 0.48
MAOB P27338 5/20 0.44
ST14 Q9Y5Y6 1/20 0.43
P2RX3 P56373 4/20 0.39
SCN7A Q01118 1/20 0.39
KCNH2 Q12809 1/20 0.39
SCN9A Q15858 1/20 0.39
ALOX5AP P20292 1/20 0.38
FEN1 P39748 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
SCHEMBL4375266 0.81 ST14 (0.50) LOXL2LOXMAOBST14SCN9A
SCHEMBL24400400 0.79 LOXL2 (0.40) LOXL2LOXMAOBSCN9A
SCHEMBL30689315 0.76 KDM4E (0.50) MAOBSCN7AKCNH2SCN9A
SCHEMBL4372661 0.76 KDM4E (0.50) MAOBSCN7AKCNH2SCN9A
SCHEMBL2567209 0.74 KDM4E (0.57) LOXL2LOXST14P2RX3
Hydrochloric Acid SCHEMBL3778622 0.73 KDM4E (0.55) LOXL2LOXMAOBST14
SCHEMBL4373280 0.73 ST14 (0.52) LOXL2LOXMAOBST14
SCHEMBL15832930 0.73 LOXL2 (0.61) LOXL2LOXMAOBST14ALOX5AP
Hydrochloric Acid SCHEMBL1713787 0.72 MAOB (0.50) LOXL2LOXMAOBST14
Hydrochloric Acid SCHEMBL4369957 0.72 MAOB (0.47) MAOBSCN9A

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