SCHEMBL7218322

SCHEMBL7218322

CC(C)OC(=O)[C@H](CCOc1ccc(CCC(=O)NC2=NCCCN2)cc1)NC(=O)OCc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 19/20 0.55
ITGA2B P08514 15/20 0.55
ITGAV P06756 9/20 0.55
ITGB5 P18084 1/20 0.40
EPHX2 P34913 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
SCHEMBL7216234 0.92 ITGB3 (0.55) ITGB3ITGA2BITGAVITGB5EPHX2
SCHEMBL7216236 0.92 ITGB3 (0.55) ITGB3ITGA2BITGAVITGB5EPHX2
SCHEMBL7217041 0.92 ITGB3 (0.62) ITGB3ITGA2BITGAVITGB5
SCHEMBL7216195 0.92 ITGB3 (0.62) ITGB3ITGA2BITGAVITGB5
SCHEMBL7223767 0.90 ITGB3 (0.54) ITGB3ITGA2BITGAVITGB5EPHX2
SCHEMBL7221686 0.84 ITGB3 (0.60) ITGB3ITGA2BITGAVITGB5
SCHEMBL7221679 0.84 ITGB3 (0.60) ITGB3ITGA2BITGAVITGB5
SCHEMBL1802005 0.81 ITGB3 (0.59) ITGB3ITGA2BITGAV
Acetic Acid SCHEMBL7698650 0.81 ITGB3 (0.57) ITGB3ITGA2BITGAV
Hydrochloric Acid SCHEMBL7414512 0.81 ITGB3 (0.58) ITGB3ITGA2BITGAV

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