SCHEMBL7450401

SCHEMBL7450401

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

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 18/20 0.46
ITGA2B P08514 18/20 0.46
F2R P25116 5/20 0.46
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPT P10636 1/20 0.40
KMT2A Q03164 1/20 0.40
GAA P10253 1/20 0.38
ALOX15 P16050 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL7501427 0.91 ITGB3 (0.51) ITGB3ITGA2BF2RMEN1ALDH1A1
SCHEMBL7816444 0.87 ITGB3 (0.47) ITGB3ITGA2BF2RMEN1ALDH1A1
SCHEMBL7450393 0.85 ITGB3 (0.44) ITGB3ITGA2BF2RMEN1ALDH1A1
SCHEMBL7502057 0.84 ITGB3 (0.49) ITGB3ITGA2BF2RMEN1ALDH1A1
SCHEMBL7450396 0.84 MEN1 (0.43) ITGB3ITGA2BF2RMEN1ALDH1A1
SCHEMBL7501010 0.84 ITGB3 (0.48) ITGB3ITGA2BF2RMEN1ALDH1A1
SCHEMBL7506668 0.83 ITGB3 (0.47) ITGB3ITGA2BF2RMEN1ALDH1A1
SCHEMBL7445610 0.83 ALDH1A1 (0.39) ITGB3ITGA2BF2RMEN1ALDH1A1
SCHEMBL7498442 0.82 ITGB3 (0.50) ITGB3ITGA2BF2RMEN1ALDH1A1
SCHEMBL7441420 0.82 ITGB3 (0.48) 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