SCHEMBL7446958

SCHEMBL7446958

CCOC(=O)C[C@@H](CNC(=O)c1ccccc1)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
KDM4E B2RXH2 1/20 0.52
PKM P14618 1/20 0.52
ITGB3 P05106 18/20 0.48
ITGA2B P08514 18/20 0.48
F2R P25116 6/20 0.46

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
SCHEMBL7440100 0.92 ITGB3 (0.57) KDM4EPKMITGB3ITGA2BF2R
SCHEMBL7498839 0.90 KDM4E (0.51) KDM4EPKMITGB3ITGA2BF2R
SCHEMBL7501692 0.88 ITGB3 (0.63) ITGB3ITGA2BF2R
SCHEMBL7451616 0.88 ITGB3 (0.47) ITGB3ITGA2BF2R
SCHEMBL7504283 0.88 ITGB3 (0.54) ITGB3ITGA2BF2R
SCHEMBL7446950 0.87 KDM4E (0.53) KDM4EPKMITGB3ITGA2BF2R
SCHEMBL7445811 0.86 ITGB3 (0.52) ITGB3ITGA2BF2R
SCHEMBL7506215 0.85 ITGB3 (0.50) ITGB3ITGA2BF2R
SCHEMBL7498836 0.85 ITGB3 (0.54) KDM4EPKMITGB3ITGA2BF2R
SCHEMBL7503248 0.85 ITGB3 (0.62) ITGB3ITGA2BF2R

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