SCHEMBL30336013

SCHEMBL30336013

O=C(O)C(c1ccccc1Cl)N1CCC(N2CCC(Cc3ccc4c(n3)NCCC4)CC2)CC1

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ITGAV P06756 19/20 0.48
ITGB6 P18564 10/20 0.48
ITGB3 P05106 10/20 0.46
ITGB5 P18084 7/20 0.46
ITGB1 P05556 4/20 0.45
ITGA5 P08648 2/20 0.42
ITGB8 P26012 1/20 0.42
ITGA4 P13612 1/20 0.41

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
SCHEMBL22008471 1.00 ITGAV (0.48) ITGAVITGB6ITGB3ITGB5ITGB1
SCHEMBL20481093 1.00 ITGAV (0.48) ITGAVITGB6ITGB3ITGB5ITGB1
SCHEMBL22008460 1.00 ITGAV (0.48) ITGAVITGB6ITGB3ITGB5ITGB1
SCHEMBL20480966 0.89 ITGAV (0.51) ITGAVITGB6ITGB3ITGB5ITGB1
SCHEMBL22008551 0.89 ITGAV (0.51) ITGAVITGB6ITGB3ITGB5ITGB1
SCHEMBL22008552 0.89 ITGAV (0.51) ITGAVITGB6ITGB3ITGB5ITGB1
SCHEMBL20481071 0.87 ITGAV (0.48) ITGAVITGB6ITGB3ITGB5ITGB1
SCHEMBL23542424 0.87 ITGAV (0.49) ITGAVITGB6ITGB3ITGB5ITGB1
SCHEMBL22008500 0.87 ITGAV (0.49) ITGAVITGB6ITGB3ITGB5ITGB1
SCHEMBL22009090 0.86 ITGAV (0.50) 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
CN-116283977-A Inhibitors of αvβ6 integrin 莫菲克医疗股份有限公司 2023-06-23 CN disclosed
CN-110573499-B Inhibitors of αvβ6 integrin 莫菲克医疗股份有限公司 2023-04-21 CN disclosed