SCHEMBL6973611

SCHEMBL6973611

CCOC(=O)[C@H](CNC(=O)CNC(=O)C(CCC1CCN(C(=O)O)CC1)CCC1CCN(C(=O)OC(C)(C)C)CC1)NS(=O)(=O)c1cccnc1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.41
TGFBR1 P36897 8/20 0.41
ITGB3 P05106 4/20 0.39
ITGA2B P08514 4/20 0.39
MMP13 P45452 2/20 0.39
GPR119 Q8TDV5 3/20 0.38
KDM4E B2RXH2 1/20 0.38
PKM P14618 1/20 0.38
ITGAV P06756 1/20 0.37
F2 P00734 1/20 0.37
F10 P00742 1/20 0.37
PLG P00747 1/20 0.37
PLAU P00749 1/20 0.37
ST14 Q9Y5Y6 1/20 0.37

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
SCHEMBL7951214 0.93 TGFBR1 (0.44) TGFBR1MMP13GPR119KDM4EPKM
SCHEMBL6976930 0.90 TGFBR1 (0.45) TGFBR1MMP13F2F10PLG
SCHEMBL6962633 0.89 MMP13 (0.49) TGFBR1ITGB3ITGA2BMMP13GPR119
SCHEMBL6964258 0.89 MMP13 (0.50) TGFBR1MMP13GPR119KDM4EPKM
SCHEMBL6964185 0.89 GPR119 (0.48) MMP13GPR119
SCHEMBL6969887 0.88 TGFBR1 (0.49) TGFBR1MMP13ITGAVF2F10
SCHEMBL6963385 0.88 STS (0.46) GAAMMP13GPR119KDM4EPKM
SCHEMBL6968993 0.88 MMP13 (0.50) TGFBR1MMP13GPR119KDM4EPKM
SCHEMBL7943420 0.87 TGFBR1 (0.47) TGFBR1F2
SCHEMBL6976329 0.87 F2 (0.44) TGFBR1ITGB3ITGA2BMMP13GPR119

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
EP-1098878-B1 BISPIPERIDINES AS ANTITHROMBOTIC AGENTS CEPHALON FRANCE (FR) 2003-12-17 EP disclosed