SCHEMBL29589137

SCHEMBL29589137

NCCCC[C@H](NC(=O)[C@@H](N)CS)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ SLC15A2 Q16348 1/20 0.44
▸ NPY1R P25929 1/20 0.37
▸ NPY2R P49146 1/20 0.37
▸ NPY4R P50391 1/20 0.37
▸ FNTA P49354 7/20 0.36
▸ FNTB P49356 7/20 0.36
▸ PGGT1B P53609 7/20 0.36
▸ ECE1 P42892 1/20 0.35

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
SCHEMBL29484176 0.97 SLC15A2 (0.48) SLC15A2FNTAFNTBPGGT1BECE1
SCHEMBL29942276 0.97 SLC15A2 (0.48) SLC15A2FNTAFNTBPGGT1BECE1
SCHEMBL30645282 0.93 SLC15A2 (0.46) SLC15A2NPY1RNPY2RNPY4RECE1
SCHEMBL31453805 0.93 SLC15A2 (0.46) SLC15A2NPY1RNPY2RNPY4RECE1
SCHEMBL31453794 0.93 SLC15A2 (0.46) SLC15A2NPY1RNPY2RNPY4RECE1
SCHEMBL29397889 0.93 SLC15A2 (0.46) SLC15A2NPY1RNPY2RNPY4RECE1
SCHEMBL30066839 0.92 SLC15A2 (0.42) SLC15A2NPY1RNPY2RNPY4RECE1
SCHEMBL30762202 0.92 SLC15A2 (0.44) SLC15A2ECE1
SCHEMBL14332219 0.92 SLC15A2 (0.48) SLC15A2NPY1RNPY2RNPY4RECE1
SCHEMBL14332340 0.92 SLC15A2 (0.48) SLC15A2NPY1RNPY2RNPY4RECE1

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
CN-114380695-A Novel method for simply and quickly realizing C-C bond forming reaction 吉林大学 2022-04-22 — — CN claimed
CN-114380695-A Novel method for simply and quickly realizing C-C bond forming reaction 吉林大学 2022-04-22 — — CN disclosed
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