SCHEMBL31606503

SCHEMBL31606503

CC[C@H](C)[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)CC(=O)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(N)=O

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ AGTR1 P30556 1/20 0.58
▸ AGTR2 P50052 1/20 0.58
▸ CASP1 P29466 1/20 0.54
▸ CASP3 P42574 1/20 0.54
▸ CASP4 P49662 1/20 0.54
▸ CASP5 P51878 1/20 0.54
▸ CASP7 P55210 1/20 0.54
▸ CASP9 P55211 1/20 0.54
▸ CASP6 P55212 1/20 0.54
▸ CASP8 Q14790 1/20 0.54
▸ CASP10 Q92851 1/20 0.54
▸ CXCL8 P10145 9/20 0.54
▸ KISS1R Q969F8 4/20 0.54
▸ CCKBR P32239 1/20 0.52

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
SCHEMBL31606474 0.97 AGTR1 (0.56) AGTR1AGTR2CASP1CASP3CASP4
SCHEMBL31606513 0.96 KISS1R (0.54) AGTR1AGTR2CASP1CASP3CASP4
SCHEMBL31606523 0.93 KISS1R (0.56) AGTR1AGTR2CASP1CASP3CASP4
SCHEMBL31606514 0.93 KISS1R (0.55) AGTR1AGTR2CXCL8KISS1R
SCHEMBL31606498 0.92 CXCL8 (0.54) CASP1CASP3CASP4CASP5CASP7
SCHEMBL31606485 0.90 CXCL8 (0.56) CXCL8KISS1R
SCHEMBL31606483 0.89 CXCL8 (0.56) AGTR1AGTR2CXCL8KISS1RCCKBR
SCHEMBL31606507 0.88 CASP1 (0.54) CASP1CASP3CASP4CASP5CASP7
SCHEMBL31606497 0.87 CASP1 (0.53) CASP1CASP3CASP4CASP5CASP7
SCHEMBL31606478 0.86 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
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