SCHEMBL7445388

SCHEMBL7445388

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

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 16/20 0.45
ITGA2B P08514 16/20 0.45
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPT P10636 1/20 0.40
KMT2A Q03164 1/20 0.40
HPGD P15428 1/20 0.40
F2R P25116 3/20 0.38
ABL1 P00519 1/20 0.36
RIN1 Q13671 1/20 0.36

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
SCHEMBL7441377 0.90 ITGB3 (0.38) ITGB3ITGA2BMEN1ALDH1A1MAPT
SCHEMBL7451021 0.89 ITGB3 (0.49) ITGB3ITGA2BMEN1ALDH1A1MAPT
Hydrochloric Acid SCHEMBL7462632 0.89 ITGB3 (0.49) ITGB3ITGA2BMEN1ALDH1A1MAPT
SCHEMBL7446367 0.88 ITGB3 (0.48) ITGB3ITGA2BMEN1KMT2AF2R
SCHEMBL7440088 0.88 ITGB3 (0.45) ITGB3ITGA2BMEN1ALDH1A1MAPT
SCHEMBL7441542 0.88 ITGB3 (0.45) ITGB3ITGA2BMEN1ALDH1A1MAPT
SCHEMBL7440757 0.87 ITGB3 (0.45) ITGB3ITGA2BMEN1ALDH1A1MAPT
SCHEMBL7437953 0.87 ITGB3 (0.45) ITGB3ITGA2BMEN1ALDH1A1MAPT
SCHEMBL7443488 0.86 ITGB3 (0.44) ITGB3ITGA2BMEN1ALDH1A1MAPT
SCHEMBL8658382 0.85 ITGB3 (0.44) ITGB3ITGA2BMEN1ALDH1A1MAPT

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