SCHEMBL31444865

SCHEMBL31444865

c1cc2c(nc1CCC1CC3(C1)OCCO3)NCCC2

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ITGAV P06756 20/20 0.48
ITGB3 P05106 12/20 0.48
ITGB5 P18084 10/20 0.48
ITGB1 P05556 5/20 0.46
ITGB6 P18564 13/20 0.45
ITGB8 P26012 4/20 0.43
KCNH2 Q12809 2/20 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
SCHEMBL20141424 0.83 ITGAV (0.48) ITGAVITGB3ITGB5ITGB1ITGB6
SCHEMBL21937505 0.82 ITGAV (0.54) ITGAVITGB3ITGB5ITGB1ITGB6
SCHEMBL20158231 0.81 ITGAV (0.53) ITGAVITGB3ITGB5ITGB1ITGB6
SCHEMBL20158336 0.80 ITGAV (0.52) ITGAVITGB3ITGB5ITGB1ITGB6
SCHEMBL31446532 0.79 ITGAV (0.53) ITGAVITGB3ITGB5ITGB1ITGB6
SCHEMBL31445627 0.79 ITGAV (0.51) ITGAVITGB3ITGB5ITGB1ITGB6
SCHEMBL20141425 0.78 ITGAV (0.54) ITGAVITGB3ITGB5ITGB1ITGB6
SCHEMBL20140627 0.78 ITGB3 (0.56) ITGAVITGB3ITGB5ITGB1
SCHEMBL17640902 0.78 ITGAV (0.52) ITGAVITGB3ITGB5ITGB1ITGB6
SCHEMBL19384679 0.78 ITGAV (0.52) ITGAVITGB3ITGB5ITGB1ITGB6

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
WO-2025072539-A1 AMINO ACID COMPOUNDS WITH NITROGEN LINKERS AND USES THEREOF PLIANT THERAPEUTICS, INC. (US) 2025-04-03 WO disclosed