SCHEMBL31076018

SCHEMBL31076018

c1cc2c(nc1CCCCCN(CCOC1CC1)[C@@H]1CCNC1)NCCC2

nearest known ligand 0.47

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ITGAV P06756 20/20 0.47
ITGB6 P18564 14/20 0.47
ITGA5 P08648 5/20 0.47
ITGB3 P05106 6/20 0.43
ITGB5 P18084 1/20 0.42

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
SCHEMBL31076143 0.92 ITGAV (0.48) ITGAVITGB6ITGA5ITGB3ITGB5
SCHEMBL31075845 0.92 ITGAV (0.48) ITGAVITGB6ITGA5ITGB3ITGB5
SCHEMBL31076152 0.89 ITGAV (0.49) ITGAVITGB6ITGA5ITGB3ITGB5
SCHEMBL31075931 0.87 ITGAV (0.48) ITGAVITGB6ITGA5ITGB3ITGB5
SCHEMBL31076141 0.87 ITGAV (0.51) ITGAVITGB6ITGA5ITGB3
SCHEMBL31075674 0.86 ITGAV (0.54) ITGAVITGB6ITGA5ITGB3ITGB5
SCHEMBL31076175 0.86 ITGAV (0.54) ITGAVITGB6ITGA5ITGB3ITGB5
SCHEMBL31075789 0.85 ITGAV (0.45) ITGAVITGB6ITGA5ITGB3ITGB5
SCHEMBL31075697 0.85 ITGAV (0.49) ITGAVITGB6ITGA5ITGB3ITGB5
SCHEMBL31076272 0.85 ITGAV (0.49) ITGAVITGB6ITGA5ITGB3ITGB5

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
EP-4665458-A1 INHIBITING ALPHA V BETA8 INTEGRIN Morphic Therapeutic, Inc. (US) 2025-12-24 EP disclosed
WO-2024173572-A1 INHIBITING α vβ8 INTEGRIN MORPHIC THERAPEUTIC, INC. (US) 2024-08-22 WO disclosed