SCHEMBL3342772

SCHEMBL3342772

Cc1cc(OC2CCNCC2)ccc1CNc1ccc(S(C)(=O)=O)nc1C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK1 Q13464 4/20 0.37
GPR119 Q8TDV5 11/20 0.37
IKBKB O14920 1/20 0.36
ROCK2 O75116 1/20 0.35
PRKACA P17612 1/20 0.35
PRKCD Q05655 1/20 0.35
PRKG1 Q13976 1/20 0.35
PKN1 Q16512 1/20 0.35
PKN2 Q16513 1/20 0.35
AAK1 Q2M2I8 1/20 0.35
CDC42BPA Q5VT25 1/20 0.35
Q6ZSR9 Q6ZSR9 1/20 0.35
BMP2K Q9NSY1 1/20 0.35
CDC42BPB Q9Y5S2 1/20 0.35
CYP2C9 P11712 3/20 0.35
NTRK1 P04629 1/20 0.34
PARP1 P09874 1/20 0.34
FPR2 P25090 1/20 0.34
PROKR1 Q8TCW9 1/20 0.34
KCNH2 Q12809 1/20 0.34

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
SCHEMBL3342675 0.81 GPR119 (0.52) GPR119CYP2C9KCNH2
SCHEMBL3344880 0.80 GPR119 (0.50) GPR119
SCHEMBL3344194 0.73 KCNH2 (0.45) ROCK1GPR119IKBKBROCK2PRKACA
SCHEMBL12262486 0.69 MLNR (0.47) PARP1FPR2PROKR1
SCHEMBL12333861 0.69 GPR119 (0.45) ROCK1GPR119IKBKBROCK2PRKACA
SCHEMBL2556461 0.68 GPR119 (0.61) GPR119CYP2C9
SCHEMBL14634843 0.68 GPR119 (0.61) GPR119CYP2C9
SCHEMBL3346737 0.67 GPR119 (0.49) GPR119CYP2C9
SCHEMBL3343172 0.67 GPR119 (0.55) GPR119CYP2C9
SCHEMBL5140547 0.67 GPR119 (0.69) GPR119CYP2C9KCNH2

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-2010048149-A2 HETEROCYCLIC MODULATORS OF GPR119 FOR TREATMENT OF DISEASE KALYPSYS, INC. (US) 2010-04-29 WO disclosed