SCHEMBL3373619

SCHEMBL3373619

Cc1nc(-n2cncn2)ccc1-c1ccc(OC2CCN(C(=O)OC(C)(C)C)CC2)cc1

nearest known ligand 0.47

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CHEK2 O96017 1/20 0.47
GPR119 Q8TDV5 13/20 0.47
PIK3CD O00329 1/20 0.42
HTT P42858 1/20 0.41

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
SCHEMBL3373277 0.84 GPR119 (0.48) CHEK2GPR119
SCHEMBL3373531 0.83 GPR119 (0.45) CHEK2GPR119
SCHEMBL23410251 0.82 GPR119 (0.67) CHEK2GPR119
SCHEMBL3374846 0.80 KCNH2 (0.44) CHEK2
SCHEMBL3340657 0.80 GPR119 (0.60) CHEK2GPR119
Hydrochloric Acid SCHEMBL3371740 0.79 KCNH2 (0.43) CHEK2
SCHEMBL2556388 0.78 GPR119 (0.63) CHEK2GPR119
SCHEMBL2556386 0.78 GPR119 (0.63) CHEK2GPR119
SCHEMBL3374664 0.76 GPR119 (0.48) GPR119
SCHEMBL3373283 0.75 GPR119 (0.54) GPR119

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