SCHEMBL2585847

SCHEMBL2585847

CCCc1cnc(N2CCC(Oc3nc4ccc(C5=CC(S(=O)(=O)CCC(C)(C)OC(=O)CCC(=O)O)NCC5)cc4s3)CC2)nc1

nearest known ligand 0.35

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 18/20 0.35
SCD O00767 1/20 0.32
ACACB O00763 1/20 0.31

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
Hydrochloric Acid SCHEMBL2591131 0.93 GPR119 (0.35) GPR119ACACB
SCHEMBL2584480 0.93 GPR119 (0.34) GPR119
SCHEMBL2587993 0.91 GPR119 (0.35) GPR119ACACB
SCHEMBL2589083 0.91 GPR119 (0.38) GPR119SCDACACB
SCHEMBL2590815 0.90 GPR119 (0.38) GPR119ACACB
SCHEMBL2591853 0.89 GPR119 (0.37) GPR119ACACB
SCHEMBL2583933 0.87 GPR119 (0.37) GPR119ACACB
SCHEMBL2588641 0.86 GPR119 (0.36) GPR119ACACB
SCHEMBL2581370 0.86 GPR119 (0.39) GPR119
SCHEMBL14718715 0.84 GPR119 (0.49) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2566860-A1 BICYCLIC HETEROARYL COMPOUNDS AS GPR119 MODULATORS Bristol-Myers Squibb Company (US) 2013-03-13 EP disclosed
WO-2011140160-A1 BICYCLIC HETEROARYL COMPOUNDS AS GPR119 MODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2011-11-10 WO disclosed