SCHEMBL6300679

SCHEMBL6300679

O=C(O)CC1C(=O)N(CC(=O)NCCCC2=NCCN2)CCc2ccccc21

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 3/20 0.39
ADRA1D P25100 2/20 0.37
ADRA1A P35348 2/20 0.37
ADRA1B P35368 2/20 0.37
ITGB3 P05106 4/20 0.37
ITGAV P06756 4/20 0.37
ITGA2B P08514 1/20 0.37
ITGB5 P18084 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
Trifluoroacetic Acid SCHEMBL6302651 0.95 BDKRB1 (0.37) BDKRB1ADRA1DADRA1AADRA1BITGB3
SCHEMBL6302652 0.87 BDKRB1 (0.38) BDKRB1ADRA1DADRA1AADRA1BITGB3
SCHEMBL6300242 0.83 ALDH1A1 (0.35) ITGB3ITGAV
SCHEMBL6302598 0.79 ITGB3 (0.57) ITGB3ITGAVITGA2BITGB5
SCHEMBL6308297 0.79 ITGB3 (0.59) ITGB3ITGAVITGA2BITGB5
SCHEMBL6300576 0.79 ITGB3 (0.43) BDKRB1ITGB3ITGAVITGA2BITGB5
SCHEMBL6300245 0.77 TPSAB1 (0.37) ITGB3ITGAVITGA2B
SCHEMBL6301697 0.77 ITGB3 (0.52) ITGB3ITGAVITGA2BITGB5
Trifluoroacetic Acid SCHEMBL6300648 0.76 ITGB3 (0.53) ITGB3ITGAVITGA2BITGB5
Trifluoroacetic Acid SCHEMBL6300360 0.73 ITGB3 (0.48) ITGB3ITGAVITGA2BITGB5

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-6846833-B2 Vitronectin receptor antagonist bicyclic compounds, preparation method and compositions containing same LES LABORATORIES SERVIER (FR) 2005-01-25 US disclosed
EP-1268429-B1 VITRONECTIN RECEPTOR ANTAGONIST BICYCLIC COMPOUNDS, PREPARATION METHOD AND COMPOSITIONS CONTAINING SAME SERVIER LAB (FR) 2004-08-18 EP disclosed