SCHEMBL31606516

SCHEMBL31606516

CC[C@H](C)[C@H](NC(=O)C(C)(C)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)N1CCC[C@H]1C(N)=O

nearest known ligand 0.50

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ CXCL8 P10145 9/20 0.50
▸ CCKBR P32239 5/20 0.49
▸ OPRM1 P35372 1/20 0.48
▸ KISS1R Q969F8 2/20 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
SCHEMBL31606483 0.94 CXCL8 (0.56) CXCL8CCKBRKISS1R
SCHEMBL31606498 0.93 CXCL8 (0.54) CXCL8CCKBRKISS1R
SCHEMBL31606526 0.91 AGTR1 (0.50) CCKBROPRM1KISS1R
SCHEMBL31606493 0.90 KISS1R (0.55) CXCL8CCKBRKISS1R
SCHEMBL31606507 0.89 CASP1 (0.54) CXCL8CCKBRKISS1R
SCHEMBL31606497 0.88 CASP1 (0.53) CXCL8CCKBRKISS1R
SCHEMBL31606530 0.88 CXCL8 (0.57) CXCL8CCKBROPRM1KISS1R
SCHEMBL31606508 0.87 CXCL8 (0.58) CXCL8CCKBROPRM1KISS1R
SCHEMBL31606517 0.87 KISS1R (0.58) CXCL8CCKBRKISS1R
SCHEMBL31606478 0.87 KISS1R (0.56) CXCL8CCKBROPRM1KISS1R

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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