SCHEMBL7216172

SCHEMBL7216172

O=C(CCc1ccc(OCCC(NS(=O)(=O)c2cccc3ccccc23)C(=O)O)cc1)NC1=NCCCN1

nearest known ligand 0.62

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 20/20 0.62
ITGAV P06756 19/20 0.62
ITGA2B P08514 18/20 0.62
ITGB1 P05556 1/20 0.41
ITGB5 P18084 1/20 0.41

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
SCHEMBL7216180 1.00 ITGB3 (0.62) ITGB3ITGAVITGA2BITGB1ITGB5
SCHEMBL6868486 0.89 ITGB3 (0.59) ITGB3ITGAVITGA2BITGB1ITGB5
SCHEMBL6505263 0.86 ITGB3 (0.69) ITGB3ITGAVITGA2BITGB1ITGB5
SCHEMBL6497993 0.84 ITGB3 (0.76) ITGB3ITGAVITGA2B
SCHEMBL7216791 0.82 ITGB3 (0.61) ITGB3ITGAVITGA2B
SCHEMBL7216785 0.82 ITGB3 (0.61) ITGB3ITGAVITGA2B
SCHEMBL6869337 0.81 ITGB3 (0.51) ITGB3ITGAVITGA2BITGB1ITGB5
SCHEMBL6964937 0.81 ITGB3 (0.62) ITGB3ITGAVITGA2BITGB1ITGB5
SCHEMBL6964924 0.80 ITGB3 (0.61) ITGB3ITGAVITGA2BITGB1ITGB5
SCHEMBL6829353 0.79 ITGB3 (0.63) ITGB3ITGAVITGA2B

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
EP-1133478-B1 NOVEL ACYLGUANIDINE DERIVATIVES, METHOD FOR PREPARING SAME, APPLICATION AS MEDICINES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AVENTIS PHARMA SA (FR) 2016-01-06 EP claimed
US-6602878-B1 Acylquanidine derivatives, method for preparing same, application as medicines and pharmaceutical compositions containing them AVENTIS PHARMA S.A. (FR) 2003-08-05 US claimed
EP-1133478-B1 NOVEL ACYLGUANIDINE DERIVATIVES, METHOD FOR PREPARING SAME, APPLICATION AS MEDICINES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AVENTIS PHARMA SA (FR) 2016-01-06 EP disclosed
US-6602878-B1 Acylquanidine derivatives, method for preparing same, application as medicines and pharmaceutical compositions containing them AVENTIS PHARMA S.A. (FR) 2003-08-05 US disclosed