SCHEMBL29482180

SCHEMBL29482180

COC(=O)[C@H](CCNC(=O)CCCCc1ccc2c(n1)NCCC2)Nc1ncc(-c2ccccc2)cn1

nearest known ligand 0.59

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ITGAV P06756 20/20 0.59
ITGB3 P05106 18/20 0.59
ITGB5 P18084 6/20 0.55
ITGB6 P18564 6/20 0.55
ITGB8 P26012 4/20 0.55
ITGB1 P05556 1/20 0.52
ITGA4 P13612 1/20 0.52
ITGA5 P08648 1/20 0.51

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
SCHEMBL22029475 1.00 ITGAV (0.59) ITGAVITGB3ITGB5ITGB6ITGB8
SCHEMBL22029492 0.92 ITGAV (0.66) ITGAVITGB3ITGB5ITGB6ITGB8
SCHEMBL22029432 0.92 ITGAV (0.66) ITGAVITGB3ITGB5ITGB6ITGB8
SCHEMBL22029430 0.92 ITGAV (0.66) ITGAVITGB3ITGB5ITGB6ITGB8
SCHEMBL22029483 0.91 ITGAV (0.59) ITGAVITGB3ITGB5ITGB6ITGB8
SCHEMBL24363074 0.84 ITGAV (0.50) ITGAVITGB3ITGB5ITGB6ITGB8
SCHEMBL24363100 0.83 ITGAV (0.51) ITGAVITGB3ITGB5ITGB6ITGB8
SCHEMBL22029438 0.83 ITGAV (0.78) ITGAVITGB3ITGB5ITGB6ITGB8
SCHEMBL22073480 0.83 ITGAV (0.78) ITGAVITGB3ITGB5ITGB6ITGB8
SCHEMBL22074099 0.83 ITGAV (0.78) 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