SCHEMBL7216246

SCHEMBL7216246

O=C(CCc1ccc(OCC[C@H](NC(=O)OCC23CC4CC(CC(C4)C2)C3)C(=O)O)cc1)NC1=NCCCN1

nearest known ligand 0.64

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 19/20 0.64
ITGAV P06756 18/20 0.64
ITGA2B P08514 12/20 0.64
ITGB5 P18084 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37

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
SCHEMBL7218511 0.91 ITGB3 (0.55) ITGB3ITGAVITGA2BMEN1KMT2A
SCHEMBL4835350 0.89 ITGB3 (0.60) ITGB3ITGAVITGA2B
SCHEMBL4918524 0.89 ITGB3 (0.60) ITGB3ITGAVITGA2B
SCHEMBL7138885 0.85 ITGB3 (0.76) ITGB3ITGAVITGA2B
SCHEMBL3368836 0.85 ITGB3 (0.76) ITGB3ITGAVITGA2B
SCHEMBL7217041 0.85 ITGB3 (0.62) ITGB3ITGAVITGA2BITGB5
SCHEMBL7216195 0.85 ITGB3 (0.62) ITGB3ITGAVITGA2BITGB5
SCHEMBL4832543 0.84 ITGB3 (0.55) ITGB3ITGAVITGA2B
SCHEMBL14253147 0.84 ITGB3 (0.52) ITGB3ITGAVITGA2B
SCHEMBL5174657 0.81 ITGB3 (0.52) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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