SCHEMBL24521938

SCHEMBL24521938

O=C(O)CC(C1=CC(N2CCOCC2)=CNC1)n1ccc(CCCc2ccc3c(n2)NCCC3)n1

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 20/20 0.48
ITGAV P06756 20/20 0.48
ITGB5 P18084 11/20 0.48
ITGB6 P18564 6/20 0.48
ITGA2B P08514 3/20 0.48
ITGB1 P05556 5/20 0.46
ITGB8 P26012 5/20 0.46

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
SCHEMBL24521885 0.81 ITGB3 (0.45) ITGB3ITGAVITGB5ITGB6ITGB1
SCHEMBL21294647 0.81 ITGAV (0.64) ITGB3ITGAVITGB5ITGB6ITGB1
SCHEMBL20142691 0.80 ITGB3 (0.54) ITGB3ITGAVITGB5ITGB6ITGA2B
SCHEMBL21294611 0.80 ITGB3 (0.54) ITGB3ITGAVITGB5ITGB6ITGA2B
SCHEMBL20142687 0.80 ITGB3 (0.54) ITGB3ITGAVITGB5ITGB6ITGA2B
SCHEMBL30850840 0.80 ITGB3 (0.54) ITGB3ITGAVITGB5ITGB6ITGA2B
SCHEMBL20153320 0.76 ITGAV (0.66) ITGB3ITGAVITGB5ITGB6ITGA2B
SCHEMBL20153380 0.76 ITGAV (0.54) ITGB3ITGAVITGB5ITGB6ITGA2B
SCHEMBL20140379 0.76 ITGAV (0.56) ITGB3ITGAVITGB5ITGB6ITGA2B
SCHEMBL20140372 0.76 ITGAV (0.56) ITGB3ITGAVITGB5ITGB6ITGA2B

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