SCHEMBL23912911

SCHEMBL23912911

CC(C)(C)c1cc(Br)cc([C@H](CC(=O)O)NC(=O)/C(C=N)=C/NCCc2ccc3c(n2)NCCC3)c1

nearest known ligand 0.50

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ITGAV P06756 20/20 0.50
ITGB3 P05106 19/20 0.50
ITGB5 P18084 17/20 0.50
ITGB6 P18564 17/20 0.50
ITGB8 P26012 16/20 0.50

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
SCHEMBL20156314 0.86 ITGB3 (0.65) ITGAVITGB3ITGB5ITGB6ITGB8
SCHEMBL23912858 0.82 ITGB3 (0.67) ITGAVITGB3ITGB5ITGB6ITGB8
SCHEMBL21271425 0.78 ITGAV (0.52) ITGAVITGB3ITGB5ITGB6ITGB8
SCHEMBL21271426 0.78 ITGAV (0.52) ITGAVITGB3ITGB5ITGB6ITGB8
SCHEMBL20158388 0.77 ITGAV (0.56) ITGAVITGB3ITGB5ITGB6ITGB8
SCHEMBL23912867 0.77 ITGB3 (0.48) ITGAVITGB3ITGB5ITGB6ITGB8
SCHEMBL21272302 0.76 ITGAV (0.52) ITGAVITGB3ITGB5ITGB6ITGB8
SCHEMBL21272301 0.76 ITGAV (0.52) ITGAVITGB3ITGB5ITGB6ITGB8
SCHEMBL21272409 0.76 ITGAV (0.50) ITGAVITGB3ITGB5ITGB6ITGB8
SCHEMBL21272411 0.76 ITGAV (0.50) ITGAVITGB3ITGB5ITGB6ITGB8

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