SCHEMBL31606520

SCHEMBL31606520

CC[C@H](C)[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(=O)O)NC(=O)C(C)(C)N)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N1CCC[C@H]1C(N)=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CASP1 P29466 1/20 0.50
▸ CASP3 P42574 1/20 0.50
▸ CASP4 P49662 1/20 0.50
▸ CASP5 P51878 1/20 0.50
▸ CASP7 P55210 1/20 0.50
▸ CASP9 P55211 1/20 0.50
▸ CASP6 P55212 1/20 0.50
▸ CASP8 Q14790 1/20 0.50
▸ CASP10 Q92851 1/20 0.50
▸ CTSL P07711 3/20 0.49
▸ CTSS P25774 3/20 0.49
▸ CTSK P43235 3/20 0.49
▸ CTSH P09668 1/20 0.49
▸ F2 P00734 4/20 0.47
▸ MAGI3 Q5TCQ9 1/20 0.47
▸ GLP1R P43220 4/20 0.47
▸ GCGR P47871 1/20 0.47
▸ GIPR P48546 1/20 0.47
▸ CXCR4 P61073 1/20 0.46
▸ CCKBR P32239 2/20 0.45

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
SCHEMBL31606497 0.94 CASP1 (0.53) CASP1CASP3CASP4CASP5CASP7
SCHEMBL31606507 0.92 CASP1 (0.54) CASP1CASP3CASP4CASP5CASP7
SCHEMBL31606498 0.90 CXCL8 (0.54) CASP1CASP3CASP4CASP5CASP7
SCHEMBL31606483 0.88 CXCL8 (0.56) GLP1RCCKBRCXCL8
SCHEMBL31606509 0.86 CASP1 (0.55) CASP1CASP3CASP4CASP5CASP7
SCHEMBL31606517 0.85 KISS1R (0.58) GLP1RCCKBRCXCL8
SCHEMBL31606478 0.84 KISS1R (0.56) CASP1CASP3CASP4CASP5CASP7
SCHEMBL31606530 0.84 CXCL8 (0.57) CCKBRCXCL8
SCHEMBL31606508 0.84 CXCL8 (0.58) CCKBRCXCL8
SCHEMBL31606523 0.83 KISS1R (0.56) CASP1CASP3CASP4CASP5CASP7

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