SCHEMBL6970413

SCHEMBL6970413

CCOC(=O)[C@H](CNC(=O)CNC(=O)C(CCC1CCN(C(=O)O)CC1)CCC1CCN(C(=O)OC(C)(C)C)CC1)NC(=O)OCc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
BCHE P06276 3/20 0.47
ACHE P22303 3/20 0.47
CACNA1F O60840 1/20 0.47
CACNA1D Q01668 1/20 0.47
CACNA1S Q13698 1/20 0.47
CACNA1C Q13936 1/20 0.47
GPR119 Q8TDV5 1/20 0.46
YAP1 P46937 3/20 0.45
P2RX7 Q99572 6/20 0.44
ITGB3 P05106 2/20 0.43
ITGA2B P08514 2/20 0.43
KDM4E B2RXH2 1/20 0.42
PKM P14618 1/20 0.42
MAPT P10636 1/20 0.42
MAPK1 P28482 1/20 0.42
NTSR1 P30989 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
CTSK P43235 1/20 0.42

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
SCHEMBL6967652 0.93 BCHE (0.51) BCHEACHECACNA1FCACNA1DCACNA1S
SCHEMBL6963135 0.87 STS (0.48) BCHEACHEGPR119YAP1ITGB3
SCHEMBL6975405 0.86 GPR119 (0.45) BCHEACHEGPR119YAP1KDM4E
SCHEMBL7951214 0.85 TGFBR1 (0.44) GPR119KDM4EPKM
SCHEMBL6962633 0.83 MMP13 (0.49) GPR119ITGB3ITGA2BKDM4EPKM
SCHEMBL7748646 0.82 BCHE (0.51) BCHEACHECACNA1FCACNA1DCACNA1S
SCHEMBL7955628 0.82 ALDH1A1 (0.42) BCHEACHEGPR119YAP1KDM4E
SCHEMBL7955983 0.82 YAP1 (0.42) BCHEACHEGPR119YAP1KDM4E
SCHEMBL6964258 0.81 MMP13 (0.50) GPR119KDM4EPKM
SCHEMBL6975825 0.81 ITGB3 (0.44) GPR119P2RX7ITGB3ITGA2BKDM4E

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