SCHEMBL31606531

SCHEMBL31606531

C[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CCCCN1)C(=O)O

nearest known ligand 0.68

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ GHSR Q92847 5/20 0.68
▸ ITGB2 P05107 1/20 0.58
▸ ICAM1 P05362 1/20 0.58
▸ ITGAL P20701 1/20 0.58
▸ ACE P12821 2/20 0.52
▸ NMBR P28336 1/20 0.51
▸ MMP9 P14780 1/20 0.50
▸ MMP8 P22894 1/20 0.50

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
SCHEMBL30053040 0.97 GHSR (0.64) GHSRITGB2ICAM1ITGALACE
SCHEMBL31606451 0.91 GHSR (0.69) GHSRITGB2ICAM1ITGALACE
SCHEMBL31606505 0.90 GHSR (0.65) GHSRITGB2ICAM1ITGALACE
SCHEMBL31606521 0.90 GHSR (0.68) GHSRITGB2ICAM1ITGALACE
SCHEMBL31606450 0.90 ITGB2 (0.68) GHSRITGB2ICAM1ITGALACE
SCHEMBL31606489 0.89 GHSR (0.71) GHSRITGB2ICAM1ITGALACE
SCHEMBL30629008 0.89 GHSR (0.60) GHSR
SCHEMBL31606515 0.89 GHSR (0.66) GHSRITGB2ICAM1ITGALACE
SCHEMBL630597 0.89 GHSR (0.70) GHSRITGB2ICAM1ITGALMMP9
SCHEMBL29533411 0.89 GHSR (0.65) 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
WO-2025109003-A1 P-CADHERIN LIGANDS 3B PHARMACEUTICALS GMBH (DE) 2025-05-30 — — WO disclosed
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