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Sugi Predict / Compounds / SCHEMBL31688340

SCHEMBL31688340

SCHEMBL31688340

CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)[C@H](CCSC)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](C)N)C(=O)N[C@@H](CC(=O)O)C(=O)O

nearest known ligand 0.64

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ KEAP1 Q14145 1/20 0.64
▸ CXCR4 P61073 3/20 0.62
▸ PTH1R Q03431 11/20 0.61
▸ RXFP1 Q9HBX9 1/20 0.61
▸ NPY1R P25929 1/20 0.59
▸ NPY2R P49146 1/20 0.59
▸ NPY4R P50391 1/20 0.59
▸ NPY5R Q15761 1/20 0.59
▸ GLP1R P43220 2/20 0.58

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
SCHEMBL31622297 0.91 KEAP1 (0.68) KEAP1CXCR4PTH1RRXFP1NPY1R
SCHEMBL31683343 0.91 NPY1R (0.65) KEAP1CXCR4PTH1RRXFP1NPY1R
SCHEMBL30432613 0.89 NPY1R (0.69) KEAP1CXCR4PTH1RNPY1RNPY2R
SCHEMBL30712878 0.89 CXCR4 (0.65) KEAP1CXCR4PTH1RNPY1RNPY2R
SCHEMBL30495698 0.89 GLP1R (0.66) KEAP1CXCR4PTH1RRXFP1NPY1R
SCHEMBL30006939 0.88 KEAP1 (0.70) KEAP1CXCR4PTH1RNPY1RNPY2R
SCHEMBL29545955 0.88 KEAP1 (0.69) KEAP1CXCR4PTH1RNPY1RNPY2R
SCHEMBL30658315 0.88 NPY1R (0.68) KEAP1NPY1RNPY2RNPY4RNPY5R
SCHEMBL31182986 0.88 PTH1R (0.68) KEAP1CXCR4PTH1RRXFP1NPY1R
SCHEMBL30775451 0.88 MC4R (0.67) KEAP1PTH1RRXFP1NPY1RNPY2R

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-20250297282-A1 VIRAL-BINDING PROTEIN AND RELATED REAGENTS, ARTICLES, AND METHODS OF USE JUNO THERAPEUTICS GMBH (DE) 2025-09-25 — — US disclosed
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