SCHEMBL9104411

SCHEMBL9104411

CC(C)[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)CCCCc1ccc(C(=N)N)cc1)C(=O)O

nearest known ligand 0.69

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 9/20 0.69
ITGA2B P08514 9/20 0.69
PRSS1 P07477 9/20 0.48
TMPRSS15 P98073 9/20 0.48
CASP1 P29466 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
SCHEMBL7305759 0.85 ITGB3 (0.54) ITGB3ITGA2B
SCHEMBL1710973 0.85 ITGB3 (0.48) ITGB3ITGA2BPRSS1TMPRSS15
SCHEMBL7431004 0.85 ITGB3 (0.70) ITGB3ITGA2BPRSS1TMPRSS15
SCHEMBL7438806 0.83 ITGB3 (0.71) ITGB3ITGA2BPRSS1TMPRSS15
SCHEMBL7306316 0.83 ITGB3 (0.51) ITGB3ITGA2BPRSS1TMPRSS15
Acetic Acid SCHEMBL9097876 0.83 ITGB3 (0.68) ITGB3ITGA2BPRSS1TMPRSS15
Hydrochloric Acid SCHEMBL9435247 0.82 ITGB3 (0.70) ITGB3ITGA2BPRSS1TMPRSS15
SCHEMBL9103107 0.82 ITGB3 (0.70) ITGB3ITGA2BPRSS1TMPRSS15
SCHEMBL7379987 0.82 ITGB3 (1.00) ITGB3ITGA2BPRSS1TMPRSS15
SCHEMBL7379869 0.82 ITGB3 (1.00) ITGB3ITGA2BPRSS1TMPRSS15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5481021-A Phenyl amidines derivatives useful as platelet aggregation inhibitors G. D. SEARLE & CO. (US) 1996-01-02 US claimed
EP-0574545-B1 PHENYL AMIDINES DERIVATIVES USEFUL AS PLATELET AGGREGATION INHIBITORS SEARLE & CO (US) 1994-11-30 EP claimed
US-5481021-A Phenyl amidines derivatives useful as platelet aggregation inhibitors G. D. SEARLE & CO. (US) 1996-01-02 US disclosed
EP-0574545-B1 PHENYL AMIDINES DERIVATIVES USEFUL AS PLATELET AGGREGATION INHIBITORS SEARLE & CO (US) 1994-11-30 EP disclosed