SCHEMBL4719031

SCHEMBL4719031

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

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 12/20 0.59
CYP2C9 P11712 1/20 0.44
CHRM4 P08173 3/20 0.40
FPR2 P25090 1/20 0.40
PROKR1 Q8TCW9 1/20 0.40
RAF1 P04049 1/20 0.39
MAPK3 P27361 1/20 0.39
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
POLB P06746 1/20 0.38
TSHR P16473 1/20 0.38
HTT P42858 1/20 0.38
CHRM2 P08172 2/20 0.38
CHRM5 P08912 2/20 0.38
CHRM1 P11229 2/20 0.38
CHRM3 P20309 2/20 0.38
ACACB O00763 1/20 0.37
GHSR Q92847 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
SCHEMBL390823 0.87 GPR119 (0.76) GPR119CYP2C9
SCHEMBL4718453 0.87 GPR119 (0.79) GPR119CYP2C9
SCHEMBL3164419 0.87 GPR119 (0.60) GPR119CYP2C9FPR2PROKR1
SCHEMBL4722977 0.86 GPR119 (0.55) GPR119CYP2C9CHRM4CHRM2CHRM5
SCHEMBL4718680 0.85 GPR119 (0.55) GPR119CYP2C9CHRM4RAF1MAPK3
SCHEMBL4719808 0.84 GPR119 (0.49) GPR119CYP2C9ACACB
SCHEMBL4721373 0.80 GPR119 (0.57) GPR119
SCHEMBL3161673 0.78 GPR119 (0.62) GPR119CYP2C9
SCHEMBL3164569 0.77 GPR119 (0.65) GPR119CYP2C9
SCHEMBL4723209 0.77 GPR119 (0.49) GPR119CYP2C9ACACB

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