SCHEMBL4718680

SCHEMBL4718680

CC(C)OC(=O)ON1CCC(Oc2cc(Oc3ccc(N4CCOCC4)cc3F)ncn2)CC1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 3/20 0.55
CYP2C9 P11712 1/20 0.41
MET P08581 1/20 0.40
RAF1 P04049 1/20 0.39
MAPK3 P27361 1/20 0.39
TBK1 Q9UHD2 5/20 0.39
ACACB O00763 6/20 0.39
CHRM4 P08173 2/20 0.38
GPR6 P46095 1/20 0.38
IDH1 O75874 1/20 0.37
CHRM2 P08172 1/20 0.36
CHRM5 P08912 1/20 0.36
CHRM1 P11229 1/20 0.36
CHRM3 P20309 1/20 0.36

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
SCHEMBL390647 0.89 GPR119 (0.70) GPR119CYP2C9
SCHEMBL3169459 0.88 GPR119 (0.55) GPR119CYP2C9ACACB
SCHEMBL4719031 0.85 GPR119 (0.59) GPR119CYP2C9RAF1MAPK3ACACB
SCHEMBL4718453 0.83 GPR119 (0.79) GPR119CYP2C9
SCHEMBL4722977 0.82 GPR119 (0.55) GPR119CYP2C9ACACBCHRM4GPR6
SCHEMBL3170510 0.79 GPR119 (0.57) GPR119CYP2C9
SCHEMBL386781 0.76 GPR119 (0.70) GPR119CYP2C9
SCHEMBL4719808 0.76 GPR119 (0.49) GPR119CYP2C9ACACB
SCHEMBL4722061 0.76 GPR119 (0.51) GPR119TBK1ACACB
SCHEMBL4721373 0.76 GPR119 (0.57) 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
EP-1756084-B1 SUBSTITUTED ARYL AND HETEROARYL DERIVATIVES AS MODULATORS OF METABOLISM AND THE PROPHYLAXIS AND TREATMENT OF DISORDERS RELATED THERETO ARENA PHARM INC (US) 2008-11-26 EP claimed