SCHEMBL7442964

SCHEMBL7442964

COCC(CC(=O)O)NC(=O)[C@@H]1CCCN(C(=O)/C=C/C2CCNCC2)C1

nearest known ligand 0.59

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 20/20 0.59
ITGA2B P08514 20/20 0.59
F2R P25116 7/20 0.51

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
Hydrochloric Acid SCHEMBL7439772 0.88 ITGB3 (0.61) ITGB3ITGA2BF2R
SCHEMBL7443488 0.85 ITGB3 (0.44) ITGB3ITGA2BF2R
SCHEMBL7441387 0.85 ITGB3 (0.61) ITGB3ITGA2BF2R
SCHEMBL6538753 0.84 ITGB3 (0.61) ITGB3ITGA2BF2R
SCHEMBL7451081 0.84 ITGB3 (0.61) ITGB3ITGA2BF2R
SCHEMBL6539879 0.84 ITGB3 (0.63) ITGB3ITGA2BF2R
SCHEMBL7445034 0.83 ITGB3 (0.57) ITGB3ITGA2BF2R
Hydrochloric Acid SCHEMBL7461899 0.83 ITGB3 (0.61) ITGB3ITGA2BF2R
SCHEMBL7432838 0.83 ITGB3 (0.62) ITGB3ITGA2BF2R
SCHEMBL7442967 0.82 ITGB3 (0.58) 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 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