SCHEMBL31146271

SCHEMBL31146271

CC(C)C[C@H](N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ERAP2 Q6P179 1/20 0.57
▸ CXCR4 P61073 2/20 0.55
▸ MMP1 P03956 1/20 0.54
▸ NPBWR1 P48145 2/20 0.54
▸ GHSR Q92847 5/20 0.53
▸ KISS1R Q969F8 3/20 0.51
▸ PRKACB P22694 1/20 0.51
▸ NPY2R P49146 1/20 0.50
▸ RXFP1 Q9HBX9 1/20 0.50
▸ IL23R Q5VWK5 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
SCHEMBL30739993 0.95 ERAP2 (0.57) ERAP2CXCR4MMP1NPBWR1GHSR
SCHEMBL30092942 0.95 NPBWR1 (0.57) ERAP2CXCR4NPBWR1GHSRKISS1R
SCHEMBL29794156 0.94 ERAP2 (0.55) ERAP2CXCR4NPBWR1GHSRKISS1R
SCHEMBL29939242 0.94 CXCR4 (0.59) CXCR4KISS1R
SCHEMBL31267917 0.94 ERAP2 (0.57) ERAP2CXCR4MMP1NPBWR1KISS1R
SCHEMBL29486225 0.93 GHSR (0.57) ERAP2NPBWR1GHSRKISS1RNPY2R
SCHEMBL30586709 0.92 ERAP2 (0.63) ERAP2MMP1KISS1R
SCHEMBL31146254 0.92 GHSR (0.50) ERAP2NPBWR1GHSRKISS1RPRKACB
SCHEMBL31146245 0.92 ERAP2 (0.60) ERAP2MMP1NPBWR1GHSRKISS1R
SCHEMBL30093020 0.91 NPBWR1 (0.56) ERAP2NPBWR1GHSRKISS1RNPY2R

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4688805-A1 CYCLIC D-PEPTIDES, DERIVATIVES, COMPOSITIONS AND USES THEREOF Immune System Key Ltd. (IL) 2026-02-11 — — EP disclosed
WO-2024228200-A1 CYCLIC D-PEPTIDES, DERIVATIVES, COMPOSITIONS AND USES THEREOF IMMUNE SYSTEM KEY LTD. (IL) 2024-11-07 — — WO disclosed
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