SCHEMBL7425539

SCHEMBL7425539

N=C(N)c1ccc(CCCCNC(=O)C(CC(=O)O)NC(=O)CCc2ccccc2)cc1

nearest known ligand 0.62

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 10/20 0.62
ITGA2B P08514 10/20 0.62
GRIA1 P42261 1/20 0.52
PRSS1 P07477 2/20 0.51
TMPRSS15 P98073 1/20 0.51
F10 P00742 3/20 0.50
LMNA P02545 1/20 0.48
TSHR P16473 1/20 0.48
CHRNB2 P17787 1/20 0.47
CHRNB4 P30926 1/20 0.47
CHRNA3 P32297 1/20 0.47
CHRNA4 P43681 1/20 0.47

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
SCHEMBL7425557 1.00 ITGB3 (0.62) ITGB3ITGA2BGRIA1PRSS1TMPRSS15
SCHEMBL8995532 0.93 ITGB3 (0.56) ITGB3ITGA2BGRIA1PRSS1F10
SCHEMBL7416798 0.93 ITGB3 (0.56) ITGB3ITGA2BGRIA1PRSS1F10
SCHEMBL7431042 0.92 ITGB3 (0.70) ITGB3ITGA2BPRSS1TMPRSS15F10
SCHEMBL7414342 0.85 CASP1 (0.53) ITGB3ITGA2BF10
SCHEMBL7414413 0.85 CASP1 (0.53) ITGB3ITGA2BF10
SCHEMBL7414348 0.85 CASP1 (0.53) ITGB3ITGA2BF10
SCHEMBL7323153 0.83 ITGB3 (0.65) ITGB3ITGA2B
SCHEMBL7421070 0.82 ITGB3 (0.55) ITGB3ITGA2BGRIA1LMNATSHR
SCHEMBL7421065 0.82 ITGB3 (0.55) ITGB3ITGA2BGRIA1LMNATSHR

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-5424334-A Peptide mimetic compounds useful as platelet aggregation inhibitors G. D. SEARLE & CO. (US) 1995-06-13 US claimed
WO-1993012074-A1 PEPTIDE MIMETIC COMPOUNDS USEFUL AS PLATELET AGGREGATION INHIBITORS G.D. SEARLE & CO. (US) 1993-06-24 WO claimed
US-5552431-A ANTICOAGULANTS G. D. SEARLE & CO. (US) 1996-09-03 US disclosed
US-5424334-A Peptide mimetic compounds useful as platelet aggregation inhibitors G. D. SEARLE & CO. (US) 1995-06-13 US disclosed