SCHEMBL24521896

SCHEMBL24521896

O=CCC(c1cccc(C=O)c1)c1nc(CCCc2ccc3c(n2)NCCC3)cs1

nearest known ligand 0.50

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ITGAV P06756 20/20 0.50
ITGB3 P05106 18/20 0.50
ITGB6 P18564 12/20 0.50
ITGA2B P08514 7/20 0.50
ITGB5 P18084 5/20 0.45
ITGB8 P26012 6/20 0.44

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
SCHEMBL24521941 0.83 ITGAV (0.46) ITGAVITGB3ITGB6ITGA2BITGB5
SCHEMBL24521922 0.81 ITGB3 (0.64) ITGAVITGB3ITGB6ITGA2BITGB5
SCHEMBL24521993 0.78 ITGAV (0.47) ITGAVITGB3ITGB6ITGA2BITGB5
SCHEMBL24521946 0.77 ITGAV (0.51) ITGAVITGB3ITGB6ITGA2BITGB5
SCHEMBL29860662 0.76 ITGAV (0.55) ITGAVITGB3ITGB6ITGA2BITGB5
SCHEMBL20141940 0.76 ITGAV (0.55) ITGAVITGB3ITGB6ITGA2BITGB5
SCHEMBL20140356 0.76 ITGAV (0.55) ITGAVITGB3ITGB6ITGA2BITGB5
SCHEMBL20140354 0.76 ITGAV (0.55) ITGAVITGB3ITGB6ITGA2BITGB5
SCHEMBL20140186 0.75 ITGB3 (0.49) ITGAVITGB3ITGB6ITGA2B
SCHEMBL20153415 0.75 ITGAV (0.57) ITGAVITGB3ITGB6ITGA2BITGB5

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