SCHEMBL31606487

SCHEMBL31606487

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

nearest known ligand 0.61

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ GHSR Q92847 2/20 0.61
▸ ERAP2 Q6P179 1/20 0.53
▸ ECE1 P42892 5/20 0.53
▸ ITGB2 P05107 1/20 0.53
▸ ICAM1 P05362 1/20 0.53
▸ ITGAL P20701 1/20 0.53
▸ MMP2 P08253 4/20 0.52
▸ MMP9 P14780 3/20 0.52
▸ MMP8 P22894 3/20 0.52
▸ MMP1 P03956 1/20 0.50
▸ ACE P12821 1/20 0.49
▸ KISS1R Q969F8 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
SCHEMBL31606505 0.94 GHSR (0.65) GHSRERAP2ECE1ITGB2ICAM1
SCHEMBL31606457 0.94 GHSR (0.61) GHSRERAP2ECE1ITGB2ICAM1
SCHEMBL31606468 0.93 GHSR (0.65) GHSRITGB2ICAM1ITGALACE
SCHEMBL31606467 0.93 GHSR (0.65) GHSRITGB2ICAM1ITGALACE
SCHEMBL29697121 0.93 GHSR (0.63) GHSRECE1ITGB2ICAM1ITGAL
SCHEMBL30052260 0.92 GHSR (0.62) GHSRERAP2ECE1ITGB2ICAM1
SCHEMBL31606464 0.91 GHSR (0.59) GHSRERAP2ECE1ITGB2ICAM1
SCHEMBL31606456 0.90 GHSR (0.60) GHSRERAP2ECE1ITGB2ICAM1
SCHEMBL2181464 0.89 ECE1 (0.62) GHSRERAP2ECE1ITGB2ICAM1
SCHEMBL9653545 0.89 ECE1 (0.62) GHSRERAP2ECE1ITGB2ICAM1

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
Send feedback