SCHEMBL29482189

SCHEMBL29482189

CC(C)(C)OC(=O)[C@@H](CCNC(=O)CCCCc1ccc2c(n1)NCCC2)c1cnc2ccccc2c1

nearest known ligand 0.71

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ITGAV P06756 20/20 0.71
ITGB3 P05106 19/20 0.71
ITGA2B P08514 3/20 0.51
ITGB5 P18084 3/20 0.51
ITGB6 P18564 2/20 0.49
ITGB8 P26012 2/20 0.49

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
SCHEMBL22029510 0.89 ITGB3 (0.85) ITGAVITGB3ITGA2BITGB5ITGB6
SCHEMBL22029436 0.89 ITGB3 (0.85) ITGAVITGB3ITGA2BITGB5ITGB6
SCHEMBL22074115 0.87 ITGAV (0.74) ITGAVITGB3ITGA2BITGB5ITGB6
SCHEMBL22029465 0.86 ITGAV (0.59) ITGAVITGB3ITGA2BITGB5ITGB6
SCHEMBL22029493 0.86 ITGAV (0.54) ITGAVITGB3ITGB5ITGB6ITGB8
SCHEMBL22029467 0.81 ITGAV (0.72) ITGAVITGB3ITGB5ITGB6ITGB8
SCHEMBL22074116 0.80 ITGB3 (0.69) ITGAVITGB3ITGA2BITGB5ITGB6
SCHEMBL7953104 0.78 ITGAV (0.79) ITGAVITGB3ITGA2BITGB5ITGB6
SCHEMBL6423205 0.78 ITGB3 (0.81) ITGAVITGB3ITGB5ITGB6ITGB8
SCHEMBL24362780 0.78 ITGB3 (0.83) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3481814-B1 TETRAHYDRONAPHTHYRIDINEPENTANAMIDE INTEGRIN ANTAGONISTS UNIV ROCKEFELLER (US) 2022-04-27 EP disclosed