SCHEMBL7299376

SCHEMBL7299376

NCCCCCCCCOc1ccc(CC(NC(=O)OCc2ccccc2)C(=O)O)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 20/20 1.00
ITGA2B P08514 20/20 1.00
ITGAV P06756 1/20 0.67

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 SCHEMBL7299245 0.99 ITGB3 (0.98) ITGB3ITGA2BITGAV
Hydrochloric Acid SCHEMBL7299598 0.99 ITGB3 (0.98) ITGB3ITGA2BITGAV
SCHEMBL7292948 0.89 ITGB3 (0.80) ITGB3ITGA2BITGAV
SCHEMBL5400248 0.89 ITGB3 (0.79) ITGB3ITGA2BITGAV
SCHEMBL5400258 0.89 ITGB3 (0.79) ITGB3ITGA2BITGAV
SCHEMBL10349352 0.88 ITGB3 (0.78) ITGB3ITGA2BITGAV
SCHEMBL7411737 0.88 ITGB3 (0.78) ITGB3ITGA2BITGAV
SCHEMBL7391462 0.88 ITGB3 (0.78) ITGB3ITGA2BITGAV
SCHEMBL7418259 0.88 ITGB3 (0.78) ITGB3ITGA2BITGAV
SCHEMBL5396515 0.88 ITGB3 (0.78) ITGB3ITGA2BITGAV

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0478328-B1 Novel fibrinogen receptor antagonists MERCK & CO INC (US) 1996-01-10 EP claimed
US-5294616-A Anticoagulants, inhibition of fibrinogen binding to blood platelets MERCK & CO., INC. (US) 1994-03-15 US claimed
EP-0478328-A1 Novel fibrinogen receptor antagonists MERCK & CO. INC. (US) 1992-04-01 EP claimed
EP-0528586-B1 Inhibiting osteoclast-mediated bone resorption using aminoalkyl-substituted phenyl derivatives MERCK & CO INC (US) 1995-02-22 EP disclosed
US-5294616-A Anticoagulants, inhibition of fibrinogen binding to blood platelets MERCK & CO., INC. (US) 1994-03-15 US disclosed
US-5217994-A METHOD OF INHIBITING OSTEOCLAST-MEDIATED BONE RESORPTION BY ADMINISTRATION OF AMINOALKYL-SUBSTITUTED PHENYL DERIVATIVES MERCK & CO., INC. (US) 1993-06-08 US disclosed
US-5204350-A Treating osteoporosis MERCK & CO., INC. (US) 1993-04-20 US disclosed
EP-0528587-A1 Inhibiting osteoclast-mediated bone resorption using substituted phenyl derivatives MERCK & CO. INC. (US) 1993-02-24 EP disclosed
EP-0528586-A1 Inhibiting osteoclast-mediated bone resorption using aminoalkyl-substituted phenyl derivatives MERCK & CO. INC. (US) 1993-02-24 EP disclosed