SCHEMBL20487145

SCHEMBL20487145

CC(C)(C)OC(=O)N1CC(NCCCCc2ccc3c(n2)NCCC3)C1

nearest known ligand 0.55

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ITGAV P06756 20/20 0.55
ITGB6 P18564 13/20 0.55
ITGB3 P05106 7/20 0.50
ITGB5 P18084 1/20 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
SCHEMBL20487402 0.91 ITGAV (0.55) ITGAVITGB6ITGB3ITGB5
SCHEMBL30336140 0.87 ITGAV (0.55) ITGAVITGB6ITGB3ITGB5
SCHEMBL20480914 0.87 ITGAV (0.55) ITGAVITGB6ITGB3ITGB5
SCHEMBL20141361 0.84 ITGAV (0.60) ITGAVITGB6
SCHEMBL20141316 0.83 ITGAV (0.61) ITGAVITGB6ITGB3ITGB5
SCHEMBL20487956 0.82 ITGAV (0.53) ITGAVITGB6ITGB3ITGB5
SCHEMBL3219843 0.81 ITGAV (0.65) ITGAVITGB6ITGB3ITGB5
SCHEMBL20480998 0.81 ITGAV (0.61) ITGAVITGB6ITGB3ITGB5
SCHEMBL30335732 0.81 ITGAV (0.61) ITGAVITGB6ITGB3ITGB5
SCHEMBL20487114 0.81 ITGAV (0.59) ITGAVITGB6ITGB3ITGB5

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
WO-2018160521-A2 INHIBITORS OF (ALPHA-V)(BETA-6) INTEGRIN Lazuli, Inc. (US) 2018-09-07 WO disclosed