SCHEMBL9254699

SCHEMBL9254699

CC(C)(C)OC(=O)N1CCC(Oc2ccc(-n3ccc4cc(NCCO)ccc43)nc2)CC1

nearest known ligand 0.42

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 13/20 0.42
CHRNA7 P36544 2/20 0.40
CHEK2 O96017 1/20 0.40
ALDH1A1 P00352 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
SCHEMBL9253174 0.89 GPR119 (0.53) GPR119CHRNA7
SCHEMBL15253109 0.88 CHEK2 (0.42) GPR119CHEK2
SCHEMBL15253063 0.87 CHRNA7 (0.47) GPR119CHRNA7CHEK2ALDH1A1
SCHEMBL9268061 0.87 CHRNA7 (0.50) GPR119CHRNA7CHEK2ALDH1A1
SCHEMBL8534642 0.86 GPR119 (0.45) GPR119CHRNA7CHEK2
SCHEMBL15253240 0.86 CHRNA7 (0.46) GPR119CHRNA7CHEK2ALDH1A1
SCHEMBL9262940 0.86 CHRNA7 (0.44) GPR119CHRNA7CHEK2ALDH1A1
SCHEMBL9266408 0.85 GPR119 (0.47) GPR119CHEK2ALDH1A1
SCHEMBL9253476 0.85 GPR119 (0.46) GPR119CHRNA7CHEK2ALDH1A1
SCHEMBL8534002 0.84 GPR119 (0.51) 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-2012069917-A1 BICYCLIC GPR119 MODULATORS LUPIN LIMITED (IN) 2012-05-31 WO disclosed