SCHEMBL29871229

SCHEMBL29871229

CCCC[C@H](N)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CCC(=O)O)C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NOD1 Q9Y239 7/20 0.39
▸ S1PR1 P21453 1/20 0.37
▸ S1PR3 Q99500 1/20 0.37
▸ BACE1 P56817 3/20 0.36
▸ DPP4 P27487 1/20 0.36
▸ DPP8 Q6V1X1 1/20 0.36
▸ DPP9 Q86TI2 1/20 0.36
▸ DPP7 Q9UHL4 1/20 0.36
▸ ERAP2 Q6P179 2/20 0.35
▸ ERAP1 Q9NZ08 2/20 0.35
▸ LNPEP Q9UIQ6 2/20 0.35
▸ SLC15A2 Q16348 1/20 0.35
▸ MME P08473 1/20 0.35
▸ ECE1 P42892 1/20 0.35
▸ CA12 O43570 1/20 0.35
▸ CA1 P00915 1/20 0.35
▸ CA2 P00918 1/20 0.35
▸ CA9 Q16790 1/20 0.35
▸ NPY1R P25929 1/20 0.35
▸ NPY2R P49146 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
SCHEMBL29871431 0.94 BACE1 (0.39) S1PR1S1PR3BACE1DPP4DPP8
SCHEMBL30553466 0.93 DPP7 (0.40) NOD1DPP4DPP8DPP9DPP7
SCHEMBL29842532 0.92 NAALAD2 (0.38) BACE1DPP4DPP8DPP9SLC15A2
SCHEMBL29871201 0.91 ENPEP (0.38) DPP4DPP8DPP9DPP7ERAP2
SCHEMBL29548513 0.91 GNPAT (0.38) BACE1DPP4DPP8DPP9DPP7
SCHEMBL31757514 0.91 BACE1 (0.39) BACE1DPP4DPP8DPP9SLC15A2
SCHEMBL30692040 0.90 NAALAD2 (0.38) ERAP2SLC15A2MMEECE1CA1
SCHEMBL38651064 0.89 NAALAD2 (0.38) BACE1ERAP2SLC15A2MMEECE1
SCHEMBL31757519 0.89 NAALAD2 (0.38) BACE1ERAP2SLC15A2MMEECE1
SCHEMBL31757521 0.89 NAALAD2 (0.38) BACE1ERAP2SLC15A2MMEECE1

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-114945579-B Heme derivative and preparation method and application thereof 吉林省澳宇生物科技有限公司 2025-01-21 — — CN disclosed
CN-114945579-A Heme derivatives, their preparation and use 吉林省澳宇生物科技有限公司 2022-08-26 — — CN disclosed
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