SCHEMBL31606478

SCHEMBL31606478

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(N)=O)NC(=O)C(C)(C)N)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 17)

geneUniProtsupporting neighboursconfidence
▸ KISS1R Q969F8 7/20 0.56
▸ GLP1R P43220 2/20 0.49
▸ CXCL8 P10145 3/20 0.49
▸ OPRM1 P35372 2/20 0.49
▸ F13A1 P00488 1/20 0.48
▸ TGM2 P21980 1/20 0.48
▸ CASP1 P29466 1/20 0.48
▸ CASP3 P42574 1/20 0.48
▸ CASP4 P49662 1/20 0.48
▸ CASP5 P51878 1/20 0.48
▸ CASP7 P55210 1/20 0.48
▸ CASP9 P55211 1/20 0.48
▸ CASP6 P55212 1/20 0.48
▸ CASP8 Q14790 1/20 0.48
▸ CASP10 Q92851 1/20 0.48
▸ MAGI3 Q5TCQ9 1/20 0.48
▸ CCKBR P32239 1/20 0.48

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
SCHEMBL31606498 0.94 CXCL8 (0.54) KISS1RGLP1RCXCL8CASP1CASP3
SCHEMBL31606483 0.92 CXCL8 (0.56) KISS1RGLP1RCXCL8CCKBR
SCHEMBL31606526 0.91 AGTR1 (0.50) KISS1RGLP1ROPRM1F13A1TGM2
SCHEMBL31606507 0.91 CASP1 (0.54) KISS1RGLP1RCXCL8CASP1CASP3
SCHEMBL31606506 0.90 KISS1R (0.61) KISS1RGLP1RCXCL8OPRM1CCKBR
SCHEMBL31606474 0.90 AGTR1 (0.56) KISS1RCXCL8OPRM1F13A1TGM2
SCHEMBL31606497 0.89 CASP1 (0.53) KISS1RGLP1RCXCL8F13A1TGM2
SCHEMBL31606517 0.88 KISS1R (0.58) KISS1RGLP1RCXCL8CCKBR
SCHEMBL31606530 0.88 CXCL8 (0.57) KISS1RCXCL8OPRM1CCKBR
SCHEMBL31606514 0.88 KISS1R (0.55) KISS1RCXCL8

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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