SCHEMBL6300654

SCHEMBL6300654

O=C(CN1CCc2ccccc2C(CC(=O)OC(=O)C(F)(F)F)C1=O)NCCCCNc1ccccn1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 15/20 0.43
ITGAV P06756 15/20 0.43
ITGA2B P08514 8/20 0.42
TRPM8 Q7Z2W7 1/20 0.40
ITGB5 P18084 4/20 0.39
ITGB1 P05556 2/20 0.39
ITGA5 P08648 1/20 0.36
ITGB6 P18564 1/20 0.36
ITGB8 P26012 1/20 0.36
HDAC1 Q13547 2/20 0.33
HDAC6 Q9UBN7 2/20 0.33

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
SCHEMBL6300365 0.95 TRPM8 (0.41) ITGB3ITGAVITGA2BTRPM8ITGB5
Trifluoroacetic Acid SCHEMBL6300648 0.88 ITGB3 (0.53) ITGB3ITGAVITGA2BTRPM8ITGB5
SCHEMBL6307550 0.87 TRPM8 (0.38) ITGB3ITGAVITGA2BTRPM8ITGB5
SCHEMBL6302598 0.86 ITGB3 (0.57) ITGB3ITGAVITGA2BTRPM8ITGB5
SCHEMBL6308297 0.85 ITGB3 (0.59) ITGB3ITGAVITGA2BTRPM8ITGB5
Trifluoroacetic Acid SCHEMBL6300360 0.83 ITGB3 (0.48) ITGB3ITGAVITGA2BTRPM8ITGB5
SCHEMBL6302652 0.82 BDKRB1 (0.38) ITGB3ITGAV
SCHEMBL6301697 0.81 ITGB3 (0.52) ITGB3ITGAVITGA2BTRPM8ITGB5
SCHEMBL6302566 0.81 ALDH1A1 (0.33)
Trifluoroacetic Acid SCHEMBL6307546 0.75 ITGB3 (0.45) ITGB3ITGAVITGA2BTRPM8ITGB5

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 1 patent. 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