SCHEMBL7445679

SCHEMBL7445679

C#CC[C@H](NC(=O)[C@@H]1CCCN(C(=O)CCC2CCNCC2)C1)C(=O)OCCc1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 20/20 0.63
ITGA2B P08514 20/20 0.63
F2R P25116 5/20 0.60

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
SCHEMBL7432798 0.89 ITGB3 (0.62) ITGB3ITGA2BF2R
SCHEMBL7445660 0.88 ITGB3 (0.48) ITGB3ITGA2BF2R
Hydrochloric Acid SCHEMBL7445669 0.85 ITGB3 (0.63) ITGB3ITGA2BF2R
SCHEMBL7439591 0.85 ITGB3 (0.65) ITGB3ITGA2BF2R
SCHEMBL7498976 0.85 ITGB3 (0.78) ITGB3ITGA2BF2R
Hydrochloric Acid SCHEMBL7445677 0.84 ITGB3 (0.64) ITGB3ITGA2BF2R
SCHEMBL7497448 0.84 ITGB3 (0.59) ITGB3ITGA2BF2R
SCHEMBL7500033 0.84 ITGB3 (0.68) ITGB3ITGA2BF2R
Hydrochloric Acid SCHEMBL7749454 0.84 ITGB3 (0.63) ITGB3ITGA2BF2R
SCHEMBL7445449 0.84 ITGB3 (0.63) 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