SCHEMBL20156255

SCHEMBL20156255

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

nearest known ligand 0.66

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ITGAV P06756 20/20 0.66
ITGB3 P05106 19/20 0.66
ITGB5 P18084 15/20 0.66
ITGB6 P18564 15/20 0.66
ITGB8 P26012 15/20 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
SCHEMBL20156033 0.96 ITGB3 (0.63) ITGAVITGB3ITGB5ITGB6ITGB8
SCHEMBL20156366 0.91 ITGAV (0.59) ITGAVITGB3ITGB5ITGB6ITGB8
SCHEMBL20156282 0.86 ITGB3 (0.57) ITGAVITGB3ITGB5ITGB6ITGB8
SCHEMBL20156250 0.84 ITGAV (0.52) ITGAVITGB3ITGB5ITGB6ITGB8
SCHEMBL20156314 0.84 ITGB3 (0.65) ITGAVITGB3ITGB5ITGB6ITGB8
SCHEMBL20156251 0.83 ITGAV (0.50) ITGAVITGB3ITGB5ITGB6ITGB8
SCHEMBL23912864 0.82 ITGB3 (0.60) ITGAVITGB3ITGB5ITGB6ITGB8
SCHEMBL20156034 0.80 ITGAV (0.49) ITGAVITGB3ITGB5ITGB6ITGB8
SCHEMBL23912919 0.79 ITGB3 (0.63) ITGAVITGB3ITGB5ITGB6ITGB8
SCHEMBL23912906 0.77 ITGAV (0.59) 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 2 patents. 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
WO-2018089358-A1 AZOLE AMIDES AND AMINES AS ALPHA V INTEGRIN INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2018-05-17 WO disclosed