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SCHEMBL30262009

SCHEMBL30262009

CSCC[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](N)CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CS)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ GRPR P30550 1/20 0.57
▸ PTH1R Q03431 4/20 0.57
▸ KISS1R Q969F8 11/20 0.56
▸ RXFP1 Q9HBX9 1/20 0.55
▸ GLP1R P43220 1/20 0.55
▸ GCGR P47871 1/20 0.55
▸ GIPR P48546 1/20 0.55
▸ IL23R Q5VWK5 2/20 0.54

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
SCHEMBL29655920 0.88 GLP1R (0.67) PTH1RKISS1RRXFP1GLP1RGCGR
SCHEMBL28100981 0.88 RXFP1 (0.63) GRPRPTH1RKISS1RRXFP1GLP1R
SCHEMBL30586709 0.87 ERAP2 (0.63) KISS1R
SCHEMBL30607309 0.87 PTH1R (0.65) GRPRPTH1RRXFP1GLP1RGCGR
SCHEMBL30262062 0.86 KISS1R (0.67) KISS1RIL23R
SCHEMBL30676224 0.86 ERAP2 (0.59) KISS1R
SCHEMBL31267924 0.86 ERAP2 (0.65) KISS1R
SCHEMBL29486225 0.85 GHSR (0.57) KISS1R
SCHEMBL29939242 0.84 CXCR4 (0.59) PTH1RKISS1RGLP1RGCGRGIPR
SCHEMBL31182606 0.84 GLP1R (0.65) PTH1RRXFP1GLP1RGCGRGIPR

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
US-20230040544-A1 COMPOSITIONS AND METHODS FOR RESTORING AND MAINTAINING THE DYSTROPHIN-ASSOCIATED PROTEIN COMPLEX (DAPC) SAREPTA THERAPEUTICS, INC. 2023-02-09 — — US disclosed
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