SCHEMBL7440100

SCHEMBL7440100

CC(C)(C)OC(=O)N1CCC(CCC(=O)N2CCC[C@@H](C(=O)N[C@H](CNC(=O)c3ccccc3)CC(=O)O)C2)CC1

nearest known ligand 0.57

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 19/20 0.57
ITGA2B P08514 19/20 0.57
KDM4E B2RXH2 1/20 0.54
PKM P14618 1/20 0.54
F2R P25116 7/20 0.53

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
SCHEMBL7446958 0.92 KDM4E (0.52) ITGB3ITGA2BKDM4EPKMF2R
SCHEMBL7818399 0.89 ITGB3 (0.55) ITGB3ITGA2BKDM4EPKMF2R
SCHEMBL7444852 0.88 ITGB3 (0.57) ITGB3ITGA2BF2R
SCHEMBL7501790 0.87 ITGB3 (0.64) ITGB3ITGA2BF2R
SCHEMBL7440093 0.87 KDM4E (0.56) ITGB3ITGA2BKDM4EPKMF2R
SCHEMBL7444331 0.86 ITGB3 (0.76) ITGB3ITGA2BF2R
SCHEMBL7449987 0.86 ITGB3 (0.76) ITGB3ITGA2BF2R
SCHEMBL7444745 0.85 ITGB3 (0.61) ITGB3ITGA2BF2R
SCHEMBL7445123 0.84 ITGB3 (0.61) ITGB3ITGA2BF2R
SCHEMBL7818397 0.84 ITGB3 (0.59) ITGB3ITGA2BKDM4EPKMF2R

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