SCHEMBL20487402

SCHEMBL20487402

CC(C)(C)OC(=O)N1CCC(NCCCCc2ccc3c(n2)NCCC3)CC1

nearest known ligand 0.55

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ITGAV P06756 20/20 0.55
ITGB6 P18564 14/20 0.55
ITGB3 P05106 6/20 0.49
ITGB5 P18084 2/20 0.44
ITGA2B P08514 2/20 0.44
ITGB1 P05556 1/20 0.43

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
SCHEMBL20487145 0.91 ITGAV (0.55) ITGAVITGB6ITGB3ITGB5
SCHEMBL20481057 0.87 ITGAV (0.56) ITGAVITGB6ITGB3ITGB5ITGA2B
SCHEMBL30335970 0.87 ITGAV (0.56) ITGAVITGB6ITGB3ITGB5ITGA2B
SCHEMBL20480998 0.86 ITGAV (0.61) ITGAVITGB6ITGB3ITGB5ITGA2B
SCHEMBL30335732 0.86 ITGAV (0.61) ITGAVITGB6ITGB3ITGB5ITGA2B
SCHEMBL21317501 0.85 ITGAV (0.67) ITGAVITGB6ITGB3ITGB5ITGB1
SCHEMBL7403635 0.82 ITGAV (0.58) ITGAVITGB6ITGB3ITGB5ITGA2B
SCHEMBL21777433 0.82 ITGAV (0.54) ITGAVITGB6ITGB3ITGB5ITGB1
SCHEMBL21777434 0.82 ITGAV (0.54) ITGAVITGB6ITGB3ITGB5ITGB1
SCHEMBL20481166 0.82 ITGAV (0.59) ITGAVITGB6ITGB3ITGB5ITGB1

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
WO-2018160521-A2 INHIBITORS OF (ALPHA-V)(BETA-6) INTEGRIN Lazuli, Inc. (US) 2018-09-07 WO disclosed
WO-2018160522-A1 INHIBITORS OF (ALPHA-V)(BETA-6) INTEGRIN Lazuli, Inc. (US) 2018-09-07 WO disclosed