SCHEMBL31075997

SCHEMBL31075997

O=C(OCc1ccccc1)N(CCCCCc1ccc2c(n1)NCCC2)[C@@H]1CCNC1

nearest known ligand 0.57

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ITGAV P06756 20/20 0.57
ITGB3 P05106 13/20 0.57
ITGB6 P18564 8/20 0.48
ITGB5 P18084 2/20 0.48
ITGA5 P08648 2/20 0.46
ITGB8 P26012 1/20 0.44

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
SCHEMBL20141252 0.79 ITGAV (0.55) ITGAVITGB3ITGB6ITGB5ITGB8
SCHEMBL31075798 0.77 ITGAV (0.49) ITGAVITGB3ITGB6ITGB5ITGA5
SCHEMBL31075661 0.77 ITGAV (0.49) ITGAVITGB3ITGB6ITGB5ITGA5
SCHEMBL31075922 0.77 ITGAV (0.49) ITGAVITGB3ITGB6ITGB5ITGA5
SCHEMBL30306767 0.77 SLC6A2 (0.52)
SCHEMBL31076035 0.76 ITGAV (0.50) ITGAVITGB3ITGB6ITGB5ITGA5
SCHEMBL31075950 0.76 ITGAV (0.50) ITGAVITGB3ITGB6ITGB5ITGA5
SCHEMBL23341168 0.76 ITGAV (0.65) ITGAVITGB3ITGB6ITGB5ITGB8
SCHEMBL30802369 0.76 SLC6A2 (0.52)
SCHEMBL31075931 0.75 ITGAV (0.48) ITGAVITGB3ITGB6ITGB5ITGA5

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