SCHEMBL7450393

SCHEMBL7450393

C#CC(CC(=O)OCC)NC(=O)[C@@H]1CCCN(C(=O)CCCC2CN(C(=O)OC(C)(C)C)C2)C1

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 19/20 0.44
ITGA2B P08514 19/20 0.44
F2R P25116 7/20 0.44
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL7499666 0.91 ITGB3 (0.50) ITGB3ITGA2BF2RMEN1ALDH1A1
SCHEMBL7500015 0.91 ITGB3 (0.50) ITGB3ITGA2BF2RMEN1ALDH1A1
SCHEMBL7503998 0.87 ITGB3 (0.44) ITGB3ITGA2BF2RMEN1ALDH1A1
SCHEMBL7450401 0.85 ITGB3 (0.46) ITGB3ITGA2BF2RMEN1ALDH1A1
SCHEMBL7447132 0.85 ITGB3 (0.61) ITGB3ITGA2BF2R
SCHEMBL7502045 0.85 ITGB3 (0.47) ITGB3ITGA2BF2RMEN1ALDH1A1
SCHEMBL7501003 0.84 ITGB3 (0.47) ITGB3ITGA2BF2RMEN1ALDH1A1
SCHEMBL7506661 0.83 ITGB3 (0.46) ITGB3ITGA2BF2RMEN1ALDH1A1
SCHEMBL7445602 0.83 ALDH1A1 (0.38) ITGB3ITGA2BF2RMEN1ALDH1A1
SCHEMBL7450396 0.83 MEN1 (0.43) ITGB3ITGA2BF2RMEN1ALDH1A1

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