SCHEMBL7445811

SCHEMBL7445811

CCOC(=O)C[C@@H](COCc1ccccc1)NC(=O)[C@@H]1CCCN(C(=O)CCC2CCN(C(=O)OC(C)(C)C)CC2)C1

nearest known ligand 0.52

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 16/20 0.52
ITGA2B P08514 16/20 0.52
F2R P25116 5/20 0.46
ALDH1A1 P00352 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.43

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
SCHEMBL7444745 0.92 ITGB3 (0.61) ITGB3ITGA2BF2R
SCHEMBL7501692 0.91 ITGB3 (0.63) ITGB3ITGA2BF2RALDH1A1L3MBTL1
SCHEMBL7504283 0.91 ITGB3 (0.54) ITGB3ITGA2BF2RALDH1A1L3MBTL1
SCHEMBL6942125 0.88 ITGB3 (0.55) ITGB3ITGA2BF2RALDH1A1L3MBTL1
SCHEMBL6936057 0.88 ITGB3 (0.55) ITGB3ITGA2BF2RALDH1A1L3MBTL1
SCHEMBL7450062 0.87 L3MBTL1 (0.42) ITGB3ITGA2BL3MBTL1
SCHEMBL7446958 0.86 KDM4E (0.52) ITGB3ITGA2BF2R
SCHEMBL7506215 0.85 ITGB3 (0.50) ITGB3ITGA2BF2R
SCHEMBL7503248 0.85 ITGB3 (0.62) ITGB3ITGA2BF2R
SCHEMBL7502459 0.85 ITGB3 (0.52) ITGB3ITGA2BF2RALDH1A1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6384028-B1 TREATMENT OF CARDIOVASCULAR DISORDERS, ANTICOAGULANTS AND VALVE REPLACEMENT FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-05-07 US disclosed
EP-0869944-A1 N-ACYLPIPERIDINYLCARBONYLAMINOCARBOXYLIC ACIDS AND THEIR USE AS GLYCOPROTEIN IIB/IIa ANTAGONISTS AND FIBRINOGEN-BLOOD PLATELETS BINDING INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-10-14 EP disclosed
WO-1996029309-A1 N-ACYLPIPERIDINYLCARBONYLAMINOCARBOXYLIC ACIDS AND THEIR USE AS GLYCOPROTEIN IIB/IIa ANTAGONISTS AND FIBRINOGEN-BLOOD PLATELETS BINDING INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-09-26 WO disclosed