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Sugi Predict / Compounds / SCHEMBL7259124

SCHEMBL7259124

SCHEMBL7259124

O=C(O)[C@H](Cc1ccc(Nc2nccc3ccccc23)cc1)Nc1c(NCc2ccccn2)c(=O)c1=O

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ ITGB3 P05106 1/20 0.47
▸ ITGAV P06756 1/20 0.47
▸ ITGB1 P05556 16/20 0.47
▸ ITGA4 P13612 16/20 0.47
▸ FNTA P49354 1/20 0.41
▸ FNTB P49356 1/20 0.41
▸ PGGT1B P53609 1/20 0.41
▸ TPH1 P17752 1/20 0.38
▸ APP P05067 1/20 0.38

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
SCHEMBL7259140 1.00 ITGB3 (0.47) ITGB3ITGAVITGB1ITGA4FNTA
SCHEMBL7105224 0.91 ITGB1 (0.55) ITGB3ITGAVITGB1ITGA4APP
SCHEMBL7105230 0.91 ITGB1 (0.55) ITGB3ITGAVITGB1ITGA4APP
SCHEMBL7105136 0.89 ITGB1 (0.53) ITGB1ITGA4FNTAFNTBPGGT1B
SCHEMBL7105129 0.89 ITGB1 (0.53) ITGB1ITGA4FNTAFNTBPGGT1B
SCHEMBL7103715 0.87 ITGB1 (0.60) ITGB1ITGA4APP
SCHEMBL7103720 0.87 ITGB1 (0.60) ITGB1ITGA4APP
SCHEMBL7099979 0.86 ITGB1 (0.53) ITGB1ITGA4
SCHEMBL7263987 0.86 ITGB1 (0.53) ITGB1ITGA4
SCHEMBL7103802 0.86 ITGB1 (0.54) ITGB1ITGA4APP

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
US-6518283-B1 To modify integrin function in such a way as to beneficially modulate cell adhesion CELLTECH R&D LIMITED (GB) 2003-02-11 — — US disclosed