SCHEMBL30610088

SCHEMBL30610088

O=C(N[C@H](Cc1c[nH]c2ccccc12)C(=O)O)[C@H](Cc1ccccc1)NC(=O)[C@H]1CCCN1

nearest known ligand 0.63

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ GHSR Q92847 2/20 0.63
▸ ITGB2 P05107 1/20 0.58
▸ ICAM1 P05362 1/20 0.58
▸ ITGAL P20701 1/20 0.58
▸ LTA4H P09960 1/20 0.56
▸ ACE P12821 1/20 0.55
▸ MME P08473 1/20 0.54

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
SCHEMBL30051684 1.00 GHSR (0.63) GHSRITGB2ICAM1ITGALLTA4H
SCHEMBL30052886 1.00 GHSR (0.63) GHSRITGB2ICAM1ITGALLTA4H
SCHEMBL31609182 1.00 GHSR (0.63) GHSRITGB2ICAM1ITGALLTA4H
SCHEMBL29550930 1.00 GHSR (0.63) GHSRITGB2ICAM1ITGALLTA4H
SCHEMBL29533411 0.96 GHSR (0.65) GHSRITGB2ICAM1ITGALACE
SCHEMBL31657628 0.95 GHSR (0.58) GHSRITGB2ICAM1ITGAL
SCHEMBL29551519 0.95 GHSR (0.58) GHSRITGB2ICAM1ITGAL
SCHEMBL21641802 0.92 ITGB2 (0.67) GHSRITGB2ICAM1ITGALACE
SCHEMBL21641801 0.92 ITGB2 (0.67) GHSRITGB2ICAM1ITGALACE
SCHEMBL29904257 0.92 ITGB2 (0.67) GHSRITGB2ICAM1ITGALACE

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
CN-110430889-B Macrocyclic peptides that reduce C-MYC protein levels and slow cancer cell growth 堪萨斯大学 2023-09-19 — — CN claimed
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