SCHEMBL7449836

SCHEMBL7449836

CC(OC(=O)CCNC(=O)[C@@H]1CCCN(C(=O)/C=C/C2CCN(C(=O)OC(C)(C)C)CC2)C1)OC(=O)OC1CCCCC1

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 17/20 0.42
ITGA2B P08514 17/20 0.42
F2R P25116 6/20 0.36
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.35
KMT2A Q03164 1/20 0.35
HPGD P15428 1/20 0.34
CHRM1 P11229 1/20 0.33

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
SCHEMBL7446169 0.84 ITGB3 (0.51) ITGB3ITGA2BF2R
SCHEMBL7441748 0.82 CHRM1 (0.44) ITGB3ITGA2BF2RMEN1ALDH1A1
SCHEMBL7437367 0.80 ITGB3 (0.41) ITGB3ITGA2BF2RMEN1ALDH1A1
SCHEMBL7447050 0.80 ITGB3 (0.42) ITGB3ITGA2BF2RMEN1ALDH1A1
SCHEMBL7444452 0.78 ITGB3 (0.47) ITGB3ITGA2BF2RCHRM1
Hydrochloric Acid SCHEMBL7444449 0.78 ITGB3 (0.46) ITGB3ITGA2BF2RCHRM1
SCHEMBL7451027 0.77 KMT2A (0.43) ITGB3ITGA2BF2RMEN1ALDH1A1
Hydrochloric Acid SCHEMBL7462640 0.77 KMT2A (0.42) ITGB3ITGA2BF2RMEN1ALDH1A1
SCHEMBL7442051 0.77 KMT2A (0.42) ITGB3ITGA2BMEN1ALDH1A1MAPT
SCHEMBL7443769 0.76 HPGD (0.42) 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 3 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
EP-0869944-A1 N-ACYLPIPERIDINYLCARBONYLAMINOCARBOXYLIC ACIDS AND THEIR USE AS GLYCOPROTEIN IIB/IIa ANTAGONISTS AND FIBRINOGEN-BLOOD PLATELETS BINDING INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-10-14 EP 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