SCHEMBL7449987

SCHEMBL7449987

O=C(O)C[C@@H](CNC(=O)c1ccccc1)NC(=O)[C@@H]1CCCN(C(=O)CCC2CCNCC2)C1

nearest known ligand 0.76

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 20/20 0.76
ITGA2B P08514 20/20 0.76
F2R P25116 7/20 0.70

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
SCHEMBL7444331 1.00 ITGB3 (0.76) ITGB3ITGA2BF2R
SCHEMBL7452090 0.88 ITGB3 (0.75) ITGB3ITGA2BF2R
Hydrochloric Acid SCHEMBL7499239 0.87 ITGB3 (0.73) ITGB3ITGA2BF2R
Hydrochloric Acid SCHEMBL7501839 0.87 ITGB3 (0.73) ITGB3ITGA2BF2R
SCHEMBL7440100 0.86 ITGB3 (0.57) ITGB3ITGA2BF2R
SCHEMBL7452444 0.86 ITGB3 (0.77) ITGB3ITGA2BF2R
SCHEMBL7447122 0.86 ITGB3 (0.77) ITGB3ITGA2BF2R
Hydrochloric Acid SCHEMBL7502931 0.85 ITGB3 (0.98) ITGB3ITGA2BF2R
SCHEMBL9115300 0.85 ITGB3 (0.85) ITGB3ITGA2BF2R
SCHEMBL7444340 0.85 ITGB3 (0.68) ITGB3ITGA2BF2R

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