SCHEMBL6967652

SCHEMBL6967652

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

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
BCHE P06276 6/20 0.51
ACHE P22303 6/20 0.51
CACNA1F O60840 1/20 0.51
CACNA1D Q01668 1/20 0.51
CACNA1S Q13698 1/20 0.51
CACNA1C Q13936 1/20 0.51
ITGB3 P05106 2/20 0.46
ITGA2B P08514 2/20 0.46
GPR119 Q8TDV5 1/20 0.45
P2RX7 Q99572 6/20 0.45
YAP1 P46937 3/20 0.44
MAPT P10636 2/20 0.43
MAPK1 P28482 2/20 0.43
NPSR1 Q6W5P4 2/20 0.43
NTSR1 P30989 1/20 0.43
MEN1 O00255 1/20 0.42
ALDH1A1 P00352 1/20 0.42
POLB P06746 1/20 0.42
KMT2A Q03164 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
SCHEMBL6970413 0.93 BCHE (0.47) BCHEACHECACNA1FCACNA1DCACNA1S
SCHEMBL7748646 0.89 BCHE (0.51) BCHEACHECACNA1FCACNA1DCACNA1S
SCHEMBL6977329 0.85 TGFBR1 (0.43) BCHEACHEITGB3ITGA2BGPR119
SCHEMBL6977326 0.85 TGFBR1 (0.43) BCHEACHEITGB3ITGA2BGPR119
SCHEMBL7753390 0.84 YAP1 (0.55) BCHEACHECACNA1FCACNA1DCACNA1S
SCHEMBL6973594 0.81 ITGB3 (0.44) BCHEACHEITGB3ITGA2BALDH1A1
SCHEMBL6973599 0.81 ITGB3 (0.44) BCHEACHEITGB3ITGA2BALDH1A1
SCHEMBL6972128 0.81 GPR119 (0.40) BCHEACHEGPR119MAPTNPSR1
SCHEMBL27448893 0.81 YAP1 (0.56) ITGB3ITGA2BGPR119P2RX7YAP1
SCHEMBL6963135 0.80 STS (0.48) BCHEACHEITGB3ITGA2BGPR119

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