SCHEMBL31606474

SCHEMBL31606474

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(=O)O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AGTR1 P30556 1/20 0.56
▸ AGTR2 P50052 1/20 0.56
▸ KISS1R Q969F8 5/20 0.54
▸ CASP1 P29466 1/20 0.53
▸ CASP3 P42574 1/20 0.53
▸ CASP4 P49662 1/20 0.53
▸ CASP5 P51878 1/20 0.53
▸ CASP7 P55210 1/20 0.53
▸ CASP9 P55211 1/20 0.53
▸ CASP6 P55212 1/20 0.53
▸ CASP8 Q14790 1/20 0.53
▸ CASP10 Q92851 1/20 0.53
▸ CCKBR P32239 3/20 0.51
▸ OPRM1 P35372 2/20 0.50
▸ MAGI3 Q5TCQ9 1/20 0.50
▸ CXCL8 P10145 1/20 0.50
▸ NTSR2 O95665 1/20 0.50
▸ NTSR1 P30989 1/20 0.50
▸ F13A1 P00488 1/20 0.50
▸ TGM2 P21980 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
SCHEMBL31606503 0.97 AGTR1 (0.58) AGTR1AGTR2KISS1RCASP1CASP3
SCHEMBL31606513 0.93 KISS1R (0.54) AGTR1AGTR2KISS1RCASP1CASP3
SCHEMBL31606523 0.90 KISS1R (0.56) AGTR1AGTR2KISS1RCASP1CASP3
SCHEMBL31606478 0.90 KISS1R (0.56) KISS1RCASP1CASP3CASP4CASP5
SCHEMBL31606514 0.90 KISS1R (0.55) AGTR1AGTR2KISS1RCXCL8
SCHEMBL31606498 0.88 CXCL8 (0.54) KISS1RCASP1CASP3CASP4CASP5
SCHEMBL31606485 0.87 CXCL8 (0.56) KISS1RCXCL8
SCHEMBL30454546 0.87 CXCL8 (0.53) AGTR1AGTR2CCKBRCXCL8
SCHEMBL31606483 0.86 CXCL8 (0.56) AGTR1AGTR2KISS1RCCKBRCXCL8
SCHEMBL31072322 0.85 OPRM1 (0.55) OPRM1CXCL8

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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