SCHEMBL9435243

SCHEMBL9435243

N=C(N)c1ccc(CCCCC(=O)N[C@@H](CC(=O)O)C(=O)N(CC(=O)O)[C@@H](Cc2ccccc2)C(=O)O)cc1

nearest known ligand 0.65

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 9/20 0.65
ITGA2B P08514 9/20 0.65
PRSS1 P07477 4/20 0.45
TMPRSS15 P98073 4/20 0.45
CTSG P08311 1/20 0.45
CMA1 P23946 1/20 0.45
F10 P00742 2/20 0.40
PLA2G2A P14555 1/20 0.40

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
SCHEMBL9103215 0.89 ITGB3 (0.66) ITGB3ITGA2BPRSS1TMPRSS15CTSG
SCHEMBL9100195 0.82 ITGB3 (0.66) ITGB3ITGA2BPRSS1TMPRSS15CTSG
SCHEMBL7438806 0.82 ITGB3 (0.71) ITGB3ITGA2BPRSS1TMPRSS15CTSG
SCHEMBL9101931 0.81 ITGB3 (0.64) ITGB3ITGA2BPRSS1TMPRSS15CTSG
SCHEMBL9103107 0.81 ITGB3 (0.70) ITGB3ITGA2BPRSS1TMPRSS15CTSG
Hydrochloric Acid SCHEMBL9435247 0.81 ITGB3 (0.70) ITGB3ITGA2BPRSS1TMPRSS15CTSG
Acetic Acid SCHEMBL9097876 0.79 ITGB3 (0.68) ITGB3ITGA2BPRSS1TMPRSS15CTSG
SCHEMBL7381799 0.79 ITGB3 (1.00) ITGB3ITGA2BCTSGCMA1PLA2G2A
SCHEMBL9098464 0.79 ITGB3 (0.67) ITGB3ITGA2BPRSS1TMPRSS15CTSG
SCHEMBL7425583 0.78 ITGB3 (0.52) ITGB3ITGA2BPRSS1TMPRSS15F10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0574545-B1 PHENYL AMIDINES DERIVATIVES USEFUL AS PLATELET AGGREGATION INHIBITORS SEARLE & CO (US) 1994-11-30 EP claimed