SCHEMBL4786884

SCHEMBL4786884

N[C@@H](Cc1ccc(OCCc2ccc3c(n2)NCCC3)cc1)C(=O)O

nearest known ligand 0.71

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 20/20 0.71
ITGAV P06756 20/20 0.71
ITGB6 P18564 10/20 0.71
ITGB5 P18084 5/20 0.71
ITGA2B P08514 1/20 0.71
ITGB1 P05556 2/20 0.66
ITGA5 P08648 1/20 0.66

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
SCHEMBL6224024 0.95 ITGAV (0.65) ITGB3ITGAVITGB6ITGB5ITGA2B
SCHEMBL4200668 0.89 ITGB3 (0.65) ITGB3ITGAVITGB6ITGB5ITGA2B
SCHEMBL4242685 0.85 ITGB1 (0.64) ITGB3ITGAVITGB6ITGB5ITGA2B
SCHEMBL6729630 0.84 ITGAV (0.59) ITGB3ITGAVITGB6ITGB5ITGA2B
SCHEMBL6178864 0.83 ITGB3 (1.00) ITGB3ITGAVITGB6ITGB5ITGA2B
SCHEMBL6178862 0.83 ITGB3 (1.00) ITGB3ITGAVITGB6ITGB5ITGA2B
SCHEMBL14270778 0.83 ITGAV (0.79) ITGB3ITGAVITGB6ITGB5ITGA2B
SCHEMBL4241332 0.83 ITGAV (0.69) ITGB3ITGAVITGB6ITGB5ITGA2B
SCHEMBL4193839 0.81 ITGB3 (0.56) ITGB3ITGAVITGB6ITGB5ITGA2B
SCHEMBL4904824 0.81 ITGAV (0.69) ITGB3ITGAVITGB6ITGB5ITGA2B

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
WO-2008093064-A1 L-ALANINE DERIVATIVES AS α5 BETA 1 ANTAGONISTS ASTRAZENECA AB (SE) 2008-08-07 WO disclosed