SCHEMBL31606463

SCHEMBL31606463

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

nearest known ligand 0.65

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ GHSR Q92847 4/20 0.65
▸ ITGB2 P05107 1/20 0.58
▸ ICAM1 P05362 1/20 0.58
▸ ITGAL P20701 1/20 0.58
▸ ACE P12821 2/20 0.52
▸ CCKBR P32239 6/20 0.51
▸ MMP2 P08253 1/20 0.50
▸ 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
SCHEMBL31606467 0.93 GHSR (0.65) GHSRITGB2ICAM1ITGALACE
SCHEMBL31606468 0.93 GHSR (0.65) GHSRITGB2ICAM1ITGALACE
SCHEMBL31606457 0.93 GHSR (0.61) GHSRITGB2ICAM1ITGALACE
SCHEMBL29533411 0.92 GHSR (0.65) GHSRITGB2ICAM1ITGALACE
SCHEMBL31606453 0.91 GHSR (0.63) GHSRITGB2ICAM1ITGALACE
SCHEMBL31606462 0.91 GHSR (0.59) GHSRITGB2ICAM1ITGALCCKBR
SCHEMBL31606450 0.91 ITGB2 (0.68) GHSRITGB2ICAM1ITGALACE
SCHEMBL31606505 0.90 GHSR (0.65) GHSRITGB2ICAM1ITGALACE
SCHEMBL31606528 0.90 GHSR (0.63) GHSRITGB2ICAM1ITGALACE
SCHEMBL29697121 0.90 GHSR (0.63) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025109003-A1 P-CADHERIN LIGANDS 3B PHARMACEUTICALS GMBH (DE) 2025-05-30 — — WO claimed
WO-2025109003-A1 P-CADHERIN LIGANDS 3B PHARMACEUTICALS GMBH (DE) 2025-05-30 — — WO disclosed
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