SCHEMBL7748646

SCHEMBL7748646

CCOC(=O)[C@H](CNC(=O)CCNC(=O)CCCC1CCN(C(=O)OC(C)(C)C)CC1)NC(=O)OCc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
BCHE P06276 6/20 0.51
ACHE P22303 6/20 0.51
CACNA1F O60840 1/20 0.49
CACNA1D Q01668 1/20 0.49
CACNA1S Q13698 1/20 0.49
CACNA1C Q13936 1/20 0.49
GPR119 Q8TDV5 1/20 0.49
ITGB3 P05106 2/20 0.48
ITGA2B P08514 2/20 0.48
YAP1 P46937 3/20 0.47
P2RX7 Q99572 6/20 0.46
MAPT P10636 1/20 0.44
MAPK1 P28482 1/20 0.44
NTSR1 P30989 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44

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
SCHEMBL7753390 0.89 YAP1 (0.55) BCHEACHECACNA1FCACNA1DCACNA1S
SCHEMBL6967652 0.89 BCHE (0.51) BCHEACHECACNA1FCACNA1DCACNA1S
SCHEMBL8186293 0.88 YAP1 (0.54) BCHEACHEGPR119ITGB3ITGA2B
SCHEMBL8184024 0.85 YAP1 (0.52) BCHEACHEGPR119ITGB3ITGA2B
SCHEMBL27448893 0.85 YAP1 (0.56) GPR119ITGB3ITGA2BYAP1P2RX7
SCHEMBL7753201 0.84 MMP13 (0.46) BCHEACHEGPR119ITGB3ITGA2B
SCHEMBL6970413 0.82 BCHE (0.47) BCHEACHECACNA1FCACNA1DCACNA1S
SCHEMBL7752671 0.82 SYK (0.60) ITGB3ITGA2BMAPTMAPK1
SCHEMBL6936056 0.81 ITGB3 (0.69) BCHEACHECACNA1FCACNA1DCACNA1S
SCHEMBL27449336 0.79 YAP1 (0.51) GPR119YAP1P2RX7MAPTMAPK1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0725059-B1 2,3-DIAMINOPROPIONIC ACID DERIVATIVE SUMITOMO PHARMA (JP) 2001-01-17 EP disclosed
US-6048854-A ANTICOAGULANTS; ANTICANCER AGENT; WOUND HEALING AGENTS;BONE DISORDERS SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 2000-04-11 US disclosed
US-5707994-A USEFUL AS A PLATELET AGGREGATION INHIBITOR, CANCER METASTASIS INHIBITOR, WOUND HEALING AGENT OR A BONE RESORPTION INHIBITOR SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1998-01-13 US disclosed
EP-0725059-A1 2,3-DIAMINOPROPIONIC ACID DERIVATIVE SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1996-08-07 EP disclosed