SCHEMBL2590978

SCHEMBL2590978

CCCc1cnc(N2CCC(Cc3nc4ccc(C5=CC(S(=O)(=O)CCCC(=O)OC)NCC5)cc4s3)CC2)nc1

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 6/20 0.35
LIPG Q9Y5X9 7/20 0.33
KDM4E B2RXH2 1/20 0.33
P2RX3 P56373 3/20 0.32
LIPC P11150 2/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 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
SCHEMBL2583933 0.89 GPR119 (0.37) GPR119LIPG
SCHEMBL2584521 0.89 GPR119 (0.35) GPR119LIPGKDM4E
SCHEMBL2592491 0.84 GPR119 (0.51) GPR119KDM4E
SCHEMBL2589083 0.83 GPR119 (0.38) GPR119
SCHEMBL2588641 0.79 GPR119 (0.36) GPR119LIPG
SCHEMBL14759037 0.79 GPR119 (0.36) GPR119
SCHEMBL2581370 0.78 GPR119 (0.39) GPR119
SCHEMBL2588134 0.78 GPR119 (0.36) GPR119
SCHEMBL2590815 0.77 GPR119 (0.38) GPR119
SCHEMBL2590607 0.77 ACACB (0.37) 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