SCHEMBL29936679

SCHEMBL29936679

c1cc2[nH]ncc2cc1OCCc1ccc2c(n1)NCCC2

nearest known ligand 0.55

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 20/20 0.55
ITGAV P06756 20/20 0.55
ITGB5 P18084 6/20 0.52
ITGB6 P18564 6/20 0.52
ITGB1 P05556 1/20 0.52
ITGA2B P08514 1/20 0.49

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
SCHEMBL20139335 1.00 ITGB3 (0.55) ITGB3ITGAVITGB5ITGB6ITGB1
SCHEMBL860659 0.84 ITGB3 (0.56) ITGB3ITGAVITGB5ITGB6ITGB1
SCHEMBL21282939 0.82 ITGAV (0.43) ITGB3ITGAVITGB5ITGB6ITGA2B
SCHEMBL20153762 0.81 ITGB3 (0.52) ITGB3ITGAVITGB5ITGB6ITGB1
SCHEMBL20153815 0.78 ITGB3 (0.47) ITGB3ITGAVITGB5ITGB6ITGB1
SCHEMBL20153821 0.78 ITGB3 (0.47) ITGB3ITGAVITGB5ITGB6ITGB1
SCHEMBL20153798 0.75 ITGB3 (0.52) ITGB3ITGAVITGB5ITGB6ITGB1
SCHEMBL19953676 0.75 ITGAV (0.62) ITGB3ITGAVITGB5ITGB6ITGB1
SCHEMBL20139327 0.73 ITGB3 (0.74) ITGB3ITGAVITGB5ITGB6ITGB1
SCHEMBL21784941 0.72 ITGAV (0.54) ITGB3ITGAVITGB5ITGB6ITGB1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4305024-A1 COMPOUNDS USEFUL FOR TREATING LIVER DISEASES Abionyx Pharma SA (FR) 2024-01-17 EP disclosed
WO-2022189856-A9 COMPOUNDS USEFUL FOR TREATING LIVER DISEASES ABIONYX PHARMA SA (FR) 2022-10-13 WO disclosed
WO-2022189856-A1 COMPOUNDS USEFUL FOR TREATING LIVER DISEASES ABIONYX PHARMA SA (FR) 2022-09-15 WO disclosed