SCHEMBL4380069

SCHEMBL4380069

CC(C)OC(=O)N1CCC(Oc2ccc(C#N)cc2)CC1

nearest known ligand 0.65

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 7/20 0.65
HRH3 Q9Y5N1 10/20 0.62
CHRM2 P08172 1/20 0.49
MLNR O43193 1/20 0.49
EPHX2 P34913 1/20 0.49

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
SCHEMBL2336896 0.84 GPR119 (0.73) GPR119HRH3
SCHEMBL13160653 0.83 GPR119 (0.56) GPR119CHRM2
SCHEMBL865044 0.83 GPR119 (0.56) GPR119CHRM2
SCHEMBL227404 0.83 HRH3 (0.67) GPR119HRH3MLNREPHX2
SCHEMBL225375 0.82 GPR119 (0.91) GPR119HRH3
SCHEMBL15051091 0.82 GPR119 (0.58) GPR119HRH3EPHX2
SCHEMBL18318099 0.81 HRH3 (0.61) GPR119HRH3MLNREPHX2
SCHEMBL3290157 0.81 HRH3 (0.64) GPR119HRH3MLNREPHX2
SCHEMBL4373488 0.80 GPR119 (0.54) GPR119HRH3CHRM2
SCHEMBL3340944 0.80 GPR119 (0.85) GPR119HRH3

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 2 patents. 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
WO-2009117421-A2 HETEROCYCLIC MODULATORS OF GPR119 FOR TREATMENT OF DISEASE KALYPSYS, INC. (US) 2009-09-24 WO disclosed