SCHEMBL7445384

SCHEMBL7445384

CC(=O)NC(CNC(=O)[C@@H]1CCCN(C(=O)/C=C/C2CCN(C(=O)OC(C)(C)C)CC2)C1)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 15/20 0.41
ITGA2B P08514 15/20 0.41
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPT P10636 1/20 0.41
HPGD P15428 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
SCHEMBL7441372 0.92 MEN1 (0.39) ITGB3ITGA2BKMT2AMEN1ALDH1A1
SCHEMBL7446356 0.88 KDM4E (0.49) ITGB3ITGA2BKMT2A
SCHEMBL7451027 0.88 KMT2A (0.43) ITGB3ITGA2BKMT2AMEN1ALDH1A1
Hydrochloric Acid SCHEMBL7462640 0.87 KMT2A (0.42) ITGB3ITGA2BKMT2AMEN1ALDH1A1
SCHEMBL7440080 0.86 KMT2A (0.42) ITGB3ITGA2BKMT2AMEN1ALDH1A1
SCHEMBL7441546 0.86 KMT2A (0.42) ITGB3ITGA2BKMT2AMEN1ALDH1A1
SCHEMBL8658378 0.86 KDM4E (0.41) ITGB3ITGA2BKMT2AMAPT
SCHEMBL7437958 0.85 KMT2A (0.46) ITGB3ITGA2BKMT2AMEN1ALDH1A1
SCHEMBL7442706 0.85 KMT2A (0.46) ITGB3ITGA2BKMT2AMEN1ALDH1A1
SCHEMBL7440764 0.85 KMT2A (0.46) ITGB3ITGA2BKMT2AMEN1ALDH1A1

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