SCHEMBL7299269

SCHEMBL7299269

NCCCCCCOc1ccc(CC(NC(=O)C(Cc2ccccc2)C(=O)O)C(=O)O)cc1

nearest known ligand 0.78

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 15/20 0.78
ITGA2B P08514 15/20 0.78
MME P08473 1/20 0.51
ACE P12821 1/20 0.51
CPA1 P15085 1/20 0.51
ACE2 Q9BYF1 1/20 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
SCHEMBL7290660 1.00 ITGB3 (0.78) ITGB3ITGA2BMMEACECPA1
SCHEMBL7289588 0.87 ITGB3 (1.00) ITGB3ITGA2B
SCHEMBL7299376 0.84 ITGB3 (1.00) ITGB3ITGA2B
Hydrochloric Acid SCHEMBL7301594 0.84 ITGB3 (0.98) ITGB3ITGA2B
Hydrochloric Acid SCHEMBL7299598 0.84 ITGB3 (0.98) ITGB3ITGA2B
Hydrochloric Acid SCHEMBL7300536 0.84 ITGB3 (0.98) ITGB3ITGA2B
Hydrochloric Acid SCHEMBL7299245 0.84 ITGB3 (0.98) ITGB3ITGA2B
SCHEMBL13726236 0.83 ITGB3 (0.78) ITGB3ITGA2B
Hydrochloric Acid SCHEMBL7298866 0.82 ITGB3 (0.98) ITGB3ITGA2B
Hydrochloric Acid SCHEMBL7300550 0.82 ITGB3 (0.86) ITGB3ITGA2B

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 11 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-0478328-B1 Novel fibrinogen receptor antagonists MERCK & CO INC (US) 1996-01-10 EP disclosed
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
EP-0478328-A1 Novel fibrinogen receptor antagonists MERCK & CO. INC. (US) 1992-04-01 EP disclosed