SCHEMBL7379869

SCHEMBL7379869

CC(CC(=O)O)NC(=O)CCCCc1ccc(C(=N)N)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 10/20 1.00
ITGA2B P08514 10/20 1.00
SMN1; SMN2 Q16637 1/20 0.49
PRSS1 P07477 1/20 0.48
TMPRSS15 P98073 1/20 0.48
ST14 Q9Y5Y6 1/20 0.46

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
SCHEMBL7379987 1.00 ITGB3 (1.00) ITGB3ITGA2BSMN1; SMN2PRSS1TMPRSS15
SCHEMBL7385652 0.86 ITGB3 (0.76) ITGB3ITGA2BPRSS1TMPRSS15ST14
SCHEMBL7378671 0.86 ITGB3 (0.76) ITGB3ITGA2BPRSS1TMPRSS15ST14
SCHEMBL9472501 0.86 ITGB3 (0.76) ITGB3ITGA2BSMN1; SMN2
SCHEMBL7389600 0.86 ITGB3 (0.76) ITGB3ITGA2BSMN1; SMN2
SCHEMBL7379250 0.85 ITGB3 (0.74) ITGB3ITGA2BST14
SCHEMBL7386530 0.85 ITGB3 (0.74) ITGB3ITGA2BSMN1; SMN2PRSS1ST14
SCHEMBL7380913 0.84 ITGB3 (0.91) ITGB3ITGA2BPRSS1TMPRSS15
SCHEMBL7384435 0.83 ITGB3 (0.71) ITGB3ITGA2BST14
SCHEMBL7431004 0.82 ITGB3 (0.70) ITGB3ITGA2BPRSS1TMPRSS15ST14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5220050-A PEPTIDE MIMETIC COMPOUNDS USEFUL AS PLATELET AGGREGATION INHIBITORS G. D. SEARLE & CO. (US) 1993-06-15 US claimed
WO-1992020705-A1 PEPTIDE MIMETIC COMPOUNDS USEFUL AS PLATELET AGGREGATION INHIBITORS G.D. SEARLE & CO. (US) 1992-11-26 WO claimed
EP-0513810-A1 Peptide mimetic compounds useful as platelet aggregation inhibitors G.D. Searle & Co. (US) 1992-11-19 EP claimed
US-5220050-A PEPTIDE MIMETIC COMPOUNDS USEFUL AS PLATELET AGGREGATION INHIBITORS G. D. SEARLE & CO. (US) 1993-06-15 US disclosed
WO-1992020705-A1 PEPTIDE MIMETIC COMPOUNDS USEFUL AS PLATELET AGGREGATION INHIBITORS G.D. SEARLE & CO. (US) 1992-11-26 WO disclosed
EP-0513810-A1 Peptide mimetic compounds useful as platelet aggregation inhibitors G.D. Searle & Co. (US) 1992-11-19 EP disclosed