SCHEMBL9974154

SCHEMBL9974154

O=C(O)N1CCC(C2Cc3cc(Br)ncc3O2)CC1

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 14/20 0.40
SIGMAR1 Q99720 2/20 0.31
CHRM2 P08172 1/20 0.30
CHRM4 P08173 1/20 0.30
CHRM5 P08912 1/20 0.30
CHRM1 P11229 1/20 0.30
CHRM3 P20309 1/20 0.30

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
SCHEMBL9974175 0.85 GPR119 (0.40) GPR119SIGMAR1CHRM2CHRM4CHRM5
SCHEMBL9935783 0.84 GPR119 (0.48) GPR119
SCHEMBL17707519 0.73 GPR119 (0.72) GPR119
SCHEMBL14316412 0.70 GPR119 (0.45) GPR119
SCHEMBL9937022 0.70 GPR119 (0.49) GPR119
SCHEMBL14575713 0.70 GPR119 (0.48) GPR119
SCHEMBL15007877 0.68 GPR119 (0.48) GPR119
SCHEMBL17493533 0.68 FAAH (0.39)
SCHEMBL22719942 0.67 TEAD1 (0.50)
SCHEMBL9943216 0.66 GPR119 (0.47) 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-2012080476-A1 FUSED DIHYDROPYRANS AS GPR119 MODULATORS FOR THE TREATMENT OF DIABETES, OBESITY AND RELATED DISEASES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-21 WO disclosed