SCHEMBL23912906

SCHEMBL23912906

CC(C)(C)OC/C(NCCCc1ccc2c(n1)NCCC2)=C(/C=N)C(=O)NC(CC(=O)O)c1cc(Cl)cc(Cl)c1

nearest known ligand 0.59

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ITGAV P06756 20/20 0.59
ITGB3 P05106 19/20 0.59
ITGB6 P18564 19/20 0.59
ITGB8 P26012 19/20 0.59
ITGB5 P18084 18/20 0.59

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
SCHEMBL23912919 0.86 ITGB3 (0.63) ITGAVITGB3ITGB6ITGB8ITGB5
SCHEMBL20156366 0.84 ITGAV (0.59) ITGAVITGB3ITGB6ITGB8ITGB5
SCHEMBL20156282 0.82 ITGB3 (0.57) ITGAVITGB3ITGB6ITGB8ITGB5
SCHEMBL20156075 0.80 ITGB3 (0.65) ITGAVITGB3ITGB6ITGB8ITGB5
SCHEMBL20156250 0.79 ITGAV (0.52) ITGAVITGB3ITGB6ITGB8ITGB5
SCHEMBL20156314 0.78 ITGB3 (0.65) ITGAVITGB3ITGB6ITGB8ITGB5
SCHEMBL20156251 0.78 ITGAV (0.50) ITGAVITGB3ITGB6ITGB8ITGB5
SCHEMBL23912922 0.77 ITGB3 (0.49) ITGAVITGB3ITGB6ITGB8ITGB5
SCHEMBL23912915 0.77 ITGAV (0.66) ITGAVITGB3ITGB6ITGB8ITGB5
SCHEMBL20156255 0.77 ITGAV (0.66) ITGAVITGB3ITGB6ITGB8ITGB5

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
EP-3538527-B1 AZOLE AMIDES AND AMINES AS ALPHA V INTEGRIN INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2021-10-13 EP disclosed