SCHEMBL2584521

SCHEMBL2584521

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

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 13/20 0.35
KDM4E B2RXH2 2/20 0.32
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
LIPG Q9Y5X9 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
SCHEMBL2590978 0.89 GPR119 (0.35) GPR119KDM4ELIPG
SCHEMBL2590815 0.84 GPR119 (0.38) GPR119
SCHEMBL12178000 0.83 GPR119 (0.52) GPR119KDM4E
SCHEMBL14729004 0.80 GPR119 (0.54) GPR119KDM4ENPC1RAB9A
SCHEMBL2588641 0.80 GPR119 (0.36) GPR119LIPG
SCHEMBL2589083 0.79 GPR119 (0.38) GPR119
SCHEMBL2592310 0.78 GPR119 (0.40) GPR119KDM4ENPC1RAB9A
SCHEMBL2583933 0.78 GPR119 (0.37) GPR119LIPG
SCHEMBL2588548 0.78 GPR119 (0.49) GPR119KDM4ENPC1RAB9A
SCHEMBL14759037 0.78 GPR119 (0.36) 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