SCHEMBL31633542

SCHEMBL31633542

C[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)CN)C(=O)N[C@H](CS)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ NPY4R P50391 13/20 0.47
▸ NPY5R Q15761 9/20 0.47
▸ NPY1R P25929 8/20 0.47
▸ NPY2R P49146 6/20 0.41
▸ FNTA P49354 2/20 0.39
▸ FNTB P49356 2/20 0.39
▸ PGGT1B P53609 1/20 0.39
▸ SLC15A2 Q16348 1/20 0.37
▸ ACE P12821 1/20 0.36
▸ NOD1 Q9Y239 1/20 0.36
▸ MAPK8 P45983 1/20 0.36
▸ MAPK9 P45984 1/20 0.36
▸ MAPK10 P53779 1/20 0.36

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
SCHEMBL29533613 0.97 NPY4R (0.47) NPY4RNPY5RNPY1RNPY2RFNTA
SCHEMBL29534002 0.94 NPY4R (0.44) NPY4RNPY5RNPY1RNPY2RFNTA
SCHEMBL29355526 0.91 NPY4R (0.46) NPY4RNPY5RNPY1RNPY2RSLC15A2
SCHEMBL7861254 0.90 NPY4R (0.47) NPY4RNPY5RNPY1RNPY2RSLC15A2
SCHEMBL7861255 0.90 NPY4R (0.47) NPY4RNPY5RNPY1RNPY2RSLC15A2
SCHEMBL29565556 0.90 NPY4R (0.50) NPY4RNPY5RNPY1RNPY2R
SCHEMBL29534033 0.90 NPY4R (0.41) NPY4RNPY5RNPY1RNPY2RFNTA
SCHEMBL31521782 0.89 NPY4R (0.44) NPY4RNPY5RNPY1RNPY2RACE
SCHEMBL29519789 0.89 NPY4R (0.44) NPY4RNPY5RNPY1RNPY2RACE
SCHEMBL29395932 0.89 NPY4R (0.44) NPY4RNPY5RNPY1RNPY2RACE

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
CN-120192362-A Compound targeting chemokine receptor 4 and application thereof 原子高科股份有限公司 2025-06-24 — — CN disclosed
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