SCHEMBL4369986

SCHEMBL4369986

NCc1ccc(Oc2ccc(F)c(C(F)(F)F)c2)cc1

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ST14 Q9Y5Y6 3/20 0.55
MAOB P27338 8/20 0.46
HTR2A P28223 1/20 0.45
SLC6A4 P31645 1/20 0.45
KCNH2 Q12809 1/20 0.45
LOX P28300 1/20 0.44
LOXL2 Q9Y4K0 1/20 0.44
AR P10275 3/20 0.43
CDK8 P49336 2/20 0.41
SCN9A Q15858 1/20 0.39

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
SCHEMBL14656344 0.84 KIF11 (0.51) HTR2ASLC6A4KCNH2ARCDK8
SCHEMBL875395 0.83 IDO1 (0.54) ST14MAOBLOXLOXL2AR
SCHEMBL1283223 0.81 ALDH1A1 (0.50) MAOBHTR2ASLC6A4KCNH2AR
SCHEMBL4369759 0.81 ST14 (0.64) ST14MAOBLOXL2
SCHEMBL41769 0.81 PTPN7 (0.45) MAOBLOXLOXL2AR
SCHEMBL4368153 0.78 CDK8 (0.47) HTR2ASLC6A4KCNH2ARCDK8
SCHEMBL1282625 0.77 AR (0.49) HTR2ASLC6A4KCNH2ARCDK8
SCHEMBL923443 0.77 ST14 (0.58) ST14MAOBHTR2ASLC6A4KCNH2
SCHEMBL4380034 0.77 ST14 (0.58) ST14MAOBHTR2ASLC6A4KCNH2
SCHEMBL922221 0.75 MAOB (0.69) ST14MAOB

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