SCHEMBL29871017

SCHEMBL29871017

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

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NAALAD2 Q9Y3Q0 3/20 0.36
▸ OPRM1 P35372 1/20 0.36
▸ GHSR Q92847 1/20 0.36
▸ FOLH1 Q04609 4/20 0.35
▸ RIMKLA Q8IXN7 1/20 0.35
▸ MMP1 P03956 1/20 0.35
▸ MMP8 P22894 1/20 0.35
▸ SLC15A2 Q16348 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ MME P08473 2/20 0.34
▸ ACE P12821 1/20 0.34
▸ ACE2 Q9BYF1 1/20 0.34
▸ ECE1 P42892 1/20 0.34
▸ CA2 P00918 2/20 0.33
▸ FOLR2 P14207 1/20 0.33
▸ FOLR1 P15328 1/20 0.33
▸ GART P22102 1/20 0.33
▸ CA1 P00915 1/20 0.33
▸ GNPAT O15228 1/20 0.33
▸ ERAP2 Q6P179 1/20 0.33

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
SCHEMBL29871141 0.89 MME (0.37) OPRM1GHSRSLC15A2MMEACE
SCHEMBL29870883 0.88 NAALAD2 (0.36) NAALAD2FOLH1RIMKLAMMP1MMP8
SCHEMBL22608017 0.87 ACE (0.40) OPRM1GHSRMMEACEACE2
SCHEMBL22608019 0.87 ACE (0.40) OPRM1GHSRMMEACEACE2
SCHEMBL29871022 0.86 NOD1 (0.40) NAALAD2FOLH1RIMKLASLC15A2HPGD
SCHEMBL30692040 0.85 NAALAD2 (0.38) NAALAD2FOLH1RIMKLASLC15A2HPGD
SCHEMBL29842532 0.85 NAALAD2 (0.38) NAALAD2FOLH1RIMKLASLC15A2HPGD
SCHEMBL38651064 0.84 NAALAD2 (0.38) NAALAD2FOLH1RIMKLASLC15A2HPGD
SCHEMBL7807950 0.84 SLC15A2 (0.49) NAALAD2FOLH1RIMKLASLC15A2HPGD
SCHEMBL31757521 0.84 NAALAD2 (0.38) NAALAD2FOLH1RIMKLASLC15A2HPGD

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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