SCHEMBL31606479

SCHEMBL31606479

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](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ GLP1R P43220 6/20 0.60
▸ CASP1 P29466 1/20 0.59
▸ CASP3 P42574 1/20 0.59
▸ CASP4 P49662 1/20 0.59
▸ CASP5 P51878 1/20 0.59
▸ CASP7 P55210 1/20 0.59
▸ CASP9 P55211 1/20 0.59
▸ CASP6 P55212 1/20 0.59
▸ CASP8 Q14790 1/20 0.59
▸ CASP10 Q92851 1/20 0.59
▸ CCKBR P32239 8/20 0.58
▸ KISS1R Q969F8 4/20 0.55
▸ MAGI3 Q5TCQ9 1/20 0.55

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
SCHEMBL31606510 0.97 GLP1R (0.59) GLP1RCASP1CASP3CASP4CASP5
SCHEMBL31606533 0.95 GLP1R (0.61) GLP1RCASP1CASP3CASP4CASP5
SCHEMBL31606524 0.95 CASP1 (0.60) GLP1RCASP1CASP3CASP4CASP5
SCHEMBL31606495 0.95 GLP1R (0.65) GLP1RCASP1CASP3CASP4CASP5
SCHEMBL31606504 0.95 CCKBR (0.61) GLP1RCASP1CASP3CASP4CASP5
SCHEMBL31606518 0.94 GLP1R (0.59) GLP1RCASP1CASP3CASP4CASP5
SCHEMBL31606476 0.91 GLP1R (0.55) GLP1RCASP1CASP3CASP4CASP5
SCHEMBL31606509 0.89 CASP1 (0.55) GLP1RCASP1CASP3CASP4CASP5
SCHEMBL31606498 0.87 CXCL8 (0.54) GLP1RCASP1CASP3CASP4CASP5
SCHEMBL31606519 0.83 CCKBR (0.62) CCKBRKISS1R

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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