SCHEMBL4368162

SCHEMBL4368162

Cc1cc(CN)ccc1Oc1ccc(F)cc1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CARM1 Q86X55 3/20 0.56
PRMT6 Q96LA8 3/20 0.56
MAOB P27338 4/20 0.47
LOXL2 Q9Y4K0 1/20 0.47
ST14 Q9Y5Y6 1/20 0.46
HTR2A P28223 2/20 0.40
SLC6A4 P31645 2/20 0.40
KCNH2 Q12809 2/20 0.40
PTGS1 P23219 1/20 0.40
PTGS2 P35354 1/20 0.40
ROCK2 O75116 1/20 0.40
ROCK1 Q13464 1/20 0.40
F10 P00742 1/20 0.38
PTGER4 P35408 1/20 0.38
PTGER2 P43116 1/20 0.38
NR3C1 P04150 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
SCHEMBL16945359 0.83 LOXL2 (0.49) LOXL2ST14
SCHEMBL4369522 0.81 CSNK2A1 (0.51) MAOBLOXL2ST14HTR2ASLC6A4
SCHEMBL921987 0.80 ST14 (0.53) CARM1PRMT6ST14HTR2ASLC6A4
SCHEMBL12239030 0.79 ST14 (0.52) MAOBST14
SCHEMBL5553265 0.78 CARM1 (0.47) CARM1PRMT6MAOBHTR2ASLC6A4
SCHEMBL19175092 0.78 SLC6A4 (0.50) CARM1PRMT6HTR2ASLC6A4KCNH2
SCHEMBL4370586 0.77 HSPB1 (0.54) MAOBLOXL2ST14ROCK2ROCK1
SCHEMBL919783 0.77 LOXL2 (0.73) MAOBLOXL2ST14
SCHEMBL507354 0.76 ST14 (0.52) MAOBST14
SCHEMBL920995 0.75 ST14 (0.47) CARM1PRMT6ST14HTR2ASLC6A4

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