SCHEMBL6975825

SCHEMBL6975825

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)c1cccc2ccccc12

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 1/20 0.44
ITGA2B P08514 1/20 0.44
GPR119 Q8TDV5 1/20 0.40
KDM4E B2RXH2 1/20 0.40
PKM P14618 1/20 0.40
P2RX7 Q99572 2/20 0.40
F2 P00734 2/20 0.40
TGFBR1 P36897 2/20 0.40
F10 P00742 1/20 0.40
PLG P00747 1/20 0.40
PLAU P00749 1/20 0.40
ST14 Q9Y5Y6 1/20 0.40
HTR6 P50406 1/20 0.39
CCR10 P46092 1/20 0.39
MMP13 P45452 3/20 0.39
MMP1 P03956 1/20 0.39
CCR8 P51685 1/20 0.39

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
SCHEMBL6969507 0.91 ITGB3 (0.41) ITGB3ITGA2BF2
SCHEMBL6974976 0.91 CCR8 (0.40) GPR119KDM4EPKMTGFBR1MMP13
SCHEMBL6963513 0.91 GPR119 (0.41) GPR119KDM4EPKMTGFBR1MMP13
SCHEMBL7951214 0.90 TGFBR1 (0.44) GPR119KDM4EPKMTGFBR1MMP13
SCHEMBL6964615 0.90 CCR8 (0.42) GPR119KDM4EPKMTGFBR1MMP13
SCHEMBL6967108 0.90 GAA (0.45) GPR119KDM4EPKMP2RX7F2
SCHEMBL6976329 0.89 F2 (0.44) ITGB3ITGA2BGPR119KDM4EF2
SCHEMBL6962633 0.89 MMP13 (0.49) ITGB3ITGA2BGPR119KDM4EPKM
SCHEMBL6976930 0.88 TGFBR1 (0.45) F2TGFBR1F10PLGPLAU
SCHEMBL6959037 0.88 F2 (0.38) GPR119KDM4EPKMF2TGFBR1

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-1098878-B1 BISPIPERIDINES AS ANTITHROMBOTIC AGENTS CEPHALON FRANCE (FR) 2003-12-17 EP disclosed
US-6333338-B1 ANTICOAGULANTS, CARDIOVASCULAR DISORDERS LABORATOIRE L. LAFON (FR) 2001-12-25 US disclosed