SCHEMBL7446201

SCHEMBL7446201

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

nearest known ligand 0.50

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 19/20 0.50
ITGA2B P08514 19/20 0.50
F2R P25116 10/20 0.50
ALDH1A1 P00352 1/20 0.41

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
SCHEMBL7445974 0.93 ITGB3 (0.59) ITGB3ITGA2BF2R
SCHEMBL7504175 0.88 ITGB3 (0.60) ITGB3ITGA2BF2RALDH1A1
SCHEMBL19287451 0.88 ITGB3 (0.60) ITGB3ITGA2BF2RALDH1A1
SCHEMBL6538843 0.87 ITGB3 (0.51) ITGB3ITGA2BF2RALDH1A1
SCHEMBL7503213 0.87 ITGB3 (0.51) ITGB3ITGA2BF2RALDH1A1
SCHEMBL7506215 0.85 ITGB3 (0.50) ITGB3ITGA2BF2R
SCHEMBL7442087 0.84 ITGB3 (0.49) ITGB3ITGA2BF2RALDH1A1
SCHEMBL7445642 0.84 ITGB3 (0.49) ITGB3ITGA2BF2R
SCHEMBL7445123 0.84 ITGB3 (0.61) ITGB3ITGA2BF2R
SCHEMBL7446981 0.83 ITGB3 (0.39) ITGB3ITGA2BF2RALDH1A1

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
US-6384028-B1 TREATMENT OF CARDIOVASCULAR DISORDERS, ANTICOAGULANTS AND VALVE REPLACEMENT FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-05-07 US 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