SCHEMBL30336248

SCHEMBL30336248

O=C(O)CN1CCN(C(=O)NCCCc2ccc3c(n2)NCCC3)CC1

nearest known ligand 0.62

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ITGAV P06756 19/20 0.62
ITGB3 P05106 18/20 0.62
ITGB5 P18084 4/20 0.49
ITGB6 P18564 4/20 0.49
ITGB8 P26012 3/20 0.49
ITGA2B P08514 2/20 0.48
CCR2 P41597 1/20 0.47

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
SCHEMBL20481009 1.00 ITGAV (0.62) ITGAVITGB3ITGB5ITGB6ITGB8
SCHEMBL20481119 0.97 ITGAV (0.63) ITGAVITGB3ITGB5ITGB6ITGB8
SCHEMBL20481160 0.94 ITGAV (0.58) ITGAVITGB3ITGB5ITGB6ITGB8
SCHEMBL26890983 0.89 ITGAV (0.58) ITGAVITGB3ITGB5ITGB6ITGB8
SCHEMBL20480999 0.87 ITGAV (0.56) ITGAVITGB3ITGB5ITGB6ITGB8
SCHEMBL20480976 0.87 ITGAV (0.52) ITGAVITGB3ITGB5ITGB6ITGB8
SCHEMBL20481288 0.86 ITGAV (0.55) ITGAVITGB3ITGB5ITGB6ITGB8
SCHEMBL20481385 0.86 ITGAV (0.56) ITGAVITGB3ITGB5ITGB6ITGB8
SCHEMBL20481381 0.85 ITGAV (0.55) ITGAVITGB3ITGB5ITGB6ITGB8
SCHEMBL23542417 0.85 ITGAV (0.51) ITGAVITGB3ITGB5ITGB6ITGB8

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