SCHEMBL31075796

SCHEMBL31075796

CN([C@@H]1CCNC1)[C@H](CCCCc1ccc2c(n1)NCCC2)C(F)F

nearest known ligand 0.49

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ITGAV P06756 20/20 0.49
ITGB6 P18564 11/20 0.49
ITGB3 P05106 9/20 0.47
ITGA5 P08648 4/20 0.45
ITGB8 P26012 4/20 0.44
ITGB5 P18084 1/20 0.43

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
SCHEMBL31075801 1.00 ITGAV (0.49) ITGAVITGB6ITGB3ITGA5ITGB8
Hydrochloric Acid SCHEMBL31075740 0.87 ITGAV (0.51) ITGAVITGB6ITGB3ITGA5ITGB8
SCHEMBL31075950 0.81 ITGAV (0.50) ITGAVITGB6ITGB3ITGA5ITGB8
SCHEMBL31076035 0.81 ITGAV (0.50) ITGAVITGB6ITGB3ITGA5ITGB8
SCHEMBL31075798 0.81 ITGAV (0.49) ITGAVITGB6ITGB3ITGA5ITGB8
SCHEMBL31075661 0.81 ITGAV (0.49) ITGAVITGB6ITGB3ITGA5ITGB8
SCHEMBL31076272 0.80 ITGAV (0.49) ITGAVITGB6ITGB3ITGA5ITGB8
SCHEMBL31075674 0.80 ITGAV (0.54) ITGAVITGB6ITGB3ITGA5ITGB8
SCHEMBL31076175 0.80 ITGAV (0.54) ITGAVITGB6ITGB3ITGA5ITGB8
SCHEMBL21777740 0.79 ITGAV (0.55) ITGAVITGB6ITGB3ITGB8

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