SCHEMBL4375266

SCHEMBL4375266

NCc1ccc(Oc2ccc(C(F)(F)F)nc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ST14 Q9Y5Y6 1/20 0.50
SCN9A Q15858 2/20 0.49
PLAAT3 P53816 1/20 0.48
PLAAT5 Q96KN8 1/20 0.48
PLAAT2 Q9NWW9 1/20 0.48
PLAAT4 Q9UL19 1/20 0.48
LOXL2 Q9Y4K0 3/20 0.47
LOX P28300 2/20 0.47
MAOB P27338 4/20 0.46
MRGPRX4 Q96LA9 1/20 0.45
TRPV4 Q9HBA0 1/20 0.42
EGLN1 Q9GZT9 1/20 0.41
MMP2 P08253 2/20 0.40
MMP9 P14780 2/20 0.40
MMP8 P22894 2/20 0.40
MMP14 P50281 2/20 0.40
CSF1R P07333 1/20 0.40
CHRNB2 P17787 1/20 0.40
CHRNA4 P43681 1/20 0.40
GRM5 P41594 1/20 0.40

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
SCHEMBL18233500 0.87 LOXL2 (0.51) ST14SCN9APLAAT3PLAAT5PLAAT2
SCHEMBL24400400 0.85 LOXL2 (0.40) SCN9APLAAT3PLAAT5PLAAT2PLAAT4
SCHEMBL24401094 0.84 LOXL2 (0.41) SCN9APLAAT3PLAAT5PLAAT2PLAAT4
SCHEMBL9900498 0.84 SCN9A (0.49) SCN9APLAAT3PLAAT5PLAAT2PLAAT4
SCHEMBL4373280 0.82 ST14 (0.52) ST14LOXL2LOXMAOB
SCHEMBL25383135 0.81 ALDH1A1 (0.50) SCN9APLAAT3PLAAT5PLAAT2PLAAT4
SCHEMBL9108961 0.81 PLAAT3 (0.55) SCN9APLAAT3PLAAT5PLAAT2PLAAT4
SCHEMBL4368145 0.81 LOXL2 (0.48) ST14SCN9ALOXL2LOXMAOB
SCHEMBL40545 0.81 LOXL2 (0.53) LOXL2LOXMAOBTRPV4
SCHEMBL29404783 0.81 LOXL2 (0.53) LOXL2LOXMAOBTRPV4

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