SCHEMBL7289588

SCHEMBL7289588

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

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 15/20 1.00
ITGA2B P08514 15/20 1.00
CHRNA1 P02708 3/20 0.60
CHRNG P07510 3/20 0.60
CHRNB1 P11230 3/20 0.60
CHRND Q07001 3/20 0.60
GRIA1 P42261 1/20 0.54
GPR34 Q9UPC5 1/20 0.54

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 SCHEMBL7300536 0.89 ITGB3 (0.98) ITGB3ITGA2BGRIA1
SCHEMBL7299269 0.87 ITGB3 (0.78) ITGB3ITGA2B
SCHEMBL7290660 0.87 ITGB3 (0.78) ITGB3ITGA2B
Hydrochloric Acid SCHEMBL7294731 0.87 ITGB3 (0.77) ITGB3ITGA2BCHRNA1CHRNGCHRNB1
Hydrochloric Acid SCHEMBL7300550 0.87 ITGB3 (0.86) ITGB3ITGA2B
Hydrochloric Acid SCHEMBL9306228 0.87 ITGB3 (0.87) ITGB3ITGA2B
SCHEMBL7299376 0.85 ITGB3 (1.00) ITGB3ITGA2B
Hydrochloric Acid SCHEMBL7301594 0.85 ITGB3 (0.98) ITGB3ITGA2B
SCHEMBL7292505 0.85 ITGB3 (0.80) ITGB3ITGA2B
Hydrochloric Acid SCHEMBL7299852 0.85 ITGB3 (0.80) 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 5 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
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
US-5294616-A Anticoagulants, inhibition of fibrinogen binding to blood platelets MERCK & CO., INC. (US) 1994-03-15 US disclosed
EP-0478328-A1 Novel fibrinogen receptor antagonists MERCK & CO. INC. (US) 1992-04-01 EP disclosed