SCHEMBL24521942

SCHEMBL24521942

N=C(/C=C\NC(CC(=O)O)c1cccc(N2CCOCC2)c1)CCCc1ccc2c(n1)NCCC2

nearest known ligand 0.58

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ITGAV P06756 20/20 0.58
ITGB3 P05106 19/20 0.58
ITGB5 P18084 17/20 0.58
ITGB6 P18564 15/20 0.57
ITGB8 P26012 13/20 0.57
ITGB1 P05556 4/20 0.57

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
SCHEMBL24521921 0.86 ITGAV (0.57) ITGAVITGB3ITGB5ITGB6ITGB8
SCHEMBL24521885 0.83 ITGB3 (0.45) ITGAVITGB3ITGB5ITGB6ITGB8
SCHEMBL24521934 0.83 ITGB3 (0.64) ITGAVITGB3ITGB5ITGB6ITGB8
SCHEMBL21294647 0.80 ITGAV (0.64) ITGAVITGB3ITGB5ITGB6ITGB8
SCHEMBL24521984 0.80 ITGB3 (0.56) ITGAVITGB3ITGB5ITGB6ITGB8
SCHEMBL20153504 0.80 ITGB3 (0.62) ITGAVITGB3ITGB5ITGB6ITGB8
SCHEMBL20153340 0.79 ITGB3 (0.53) ITGAVITGB3ITGB5ITGB6ITGB8
SCHEMBL24521992 0.79 ITGB3 (0.52) ITGAVITGB3ITGB5ITGB6ITGB8
SCHEMBL24521917 0.79 ITGB3 (0.62) ITGAVITGB3ITGB5ITGB6ITGB8
SCHEMBL24521913 0.78 ITGB3 (0.63) 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-3538525-B1 3-SUBSTITUTED PROPIONIC ACIDS AS ALPHA V INTEGRIN INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2022-06-22 EP disclosed