SCHEMBL6302598

SCHEMBL6302598

O=C(O)CC1C(=O)N(CC(=O)NCCCCNc2ccccn2)CCc2ccccc21

nearest known ligand 0.57

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 18/20 0.57
ITGAV P06756 18/20 0.57
ITGA2B P08514 8/20 0.48
ITGB5 P18084 4/20 0.48
ITGB1 P05556 2/20 0.46
TRPM8 Q7Z2W7 1/20 0.39
ITGA5 P08648 1/20 0.38
ITGB6 P18564 1/20 0.38
ITGB8 P26012 1/20 0.38

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
SCHEMBL6308297 0.98 ITGB3 (0.59) ITGB3ITGAVITGA2BITGB5ITGB1
Trifluoroacetic Acid SCHEMBL6300648 0.95 ITGB3 (0.53) ITGB3ITGAVITGA2BITGB5ITGB1
SCHEMBL6301697 0.95 ITGB3 (0.52) ITGB3ITGAVITGA2BITGB5ITGB1
Trifluoroacetic Acid SCHEMBL6300360 0.90 ITGB3 (0.48) ITGB3ITGAVITGA2BITGB5ITGB1
SCHEMBL6300654 0.86 ITGB3 (0.43) ITGB3ITGAVITGA2BITGB5ITGB1
SCHEMBL6308242 0.85 ITGB3 (0.48) ITGB3ITGAVITGA2BITGB5ITGB1
SCHEMBL4715705 0.81 ITGB3 (0.55) ITGB3ITGAVITGA2BITGB5ITGB1
SCHEMBL6300365 0.81 TRPM8 (0.41) ITGB3ITGAVITGA2BITGB5ITGB1
Trifluoroacetic Acid SCHEMBL6307546 0.81 ITGB3 (0.45) ITGB3ITGAVITGA2BITGB5ITGB1
SCHEMBL4718120 0.81 ITGB3 (0.54) ITGB3ITGAVITGA2BITGB5ITGB1

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