SCHEMBL31075708

SCHEMBL31075708

CN([C@H]1CCN(C(=O)OC(C)(C)C)C1)[C@H](CCCCc1ccc2c(n1)NCCC2)C(F)F

nearest known ligand 0.51

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ITGAV P06756 20/20 0.51
ITGB6 P18564 18/20 0.51
ITGB3 P05106 2/20 0.45
ITGB8 P26012 5/20 0.44
ITGA5 P08648 5/20 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
SCHEMBL31075819 1.00 ITGAV (0.51) ITGAVITGB6ITGB3ITGB8ITGA5
SCHEMBL31075783 1.00 ITGAV (0.51) ITGAVITGB6ITGB3ITGB8ITGA5
SCHEMBL21783702 0.84 ITGAV (0.55) ITGAVITGB6ITGB3ITGB8
SCHEMBL21777434 0.80 ITGAV (0.54) ITGAVITGB6ITGB3ITGB8
SCHEMBL21777433 0.80 ITGAV (0.54) ITGAVITGB6ITGB3ITGB8
SCHEMBL31063322 0.79 ITGAV (0.64) ITGAVITGB6
SCHEMBL21767334 0.79 ITGAV (0.64) ITGAVITGB6
SCHEMBL21767335 0.79 ITGAV (0.64) ITGAVITGB6
SCHEMBL19384515 0.78 ITGAV (0.65) ITGAVITGB6ITGB3
SCHEMBL31075796 0.78 ITGAV (0.49) ITGAVITGB6ITGB3ITGB8ITGA5

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