SCHEMBL2595429

SCHEMBL2595429

COC(=O)CCS(=O)(=O)N1CC=C(c2ccc3nc(OC4CCCCN4c4nc(C(C)C)no4)sc3c2)CC1

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 4/20 0.37
MMP2 P08253 4/20 0.31
MMP3 P08254 4/20 0.31
ABL1 P00519 1/20 0.31
MAPT P10636 1/20 0.31
RIN1 Q13671 1/20 0.31
LIPC P11150 2/20 0.30
LIPG Q9Y5X9 2/20 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
SCHEMBL2594110 0.89 GPR119 (0.38) GPR119
SCHEMBL2593747 0.85 GPR119 (0.38) GPR119
SCHEMBL14729043 0.79 GPR119 (0.42) GPR119
SCHEMBL14729040 0.78 GPR119 (0.43) GPR119
SCHEMBL2595250 0.78 GPR119 (0.39) GPR119
SCHEMBL14729038 0.77 GPR119 (0.38) GPR119
SCHEMBL2594012 0.75 GPR119 (0.35) GPR119MMP2MMP3LIPCLIPG
SCHEMBL14729050 0.74 GPR119 (0.42) GPR119MMP2MMP3
SCHEMBL14718719 0.74 GPR119 (0.38) GPR119MMP2MMP3MAPTLIPG
SCHEMBL14718640 0.73 GPR119 (0.52) 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