SCHEMBL29705076

SCHEMBL29705076

CC(C)[C@H](NC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)[C@@H](C)O)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ OPRD1 P41143 13/20 0.45
▸ OPRM1 P35372 8/20 0.45
▸ OPRK1 P41145 2/20 0.43
▸ GLP1R P43220 1/20 0.40
▸ SCTR P47872 1/20 0.40
▸ C5AR1 P21730 1/20 0.40
▸ ANPEP P15144 1/20 0.39
▸ LNPEP Q9UIQ6 1/20 0.39
▸ MME P08473 1/20 0.39
▸ ACE P12821 1/20 0.39
▸ CPA1 P15085 1/20 0.39
▸ ACE2 Q9BYF1 1/20 0.39

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
SCHEMBL30084576 0.88 OPRD1 (0.49) OPRD1OPRM1OPRK1GLP1RSCTR
SCHEMBL30646307 0.87 OPRD1 (0.52) OPRD1OPRM1OPRK1
SCHEMBL31189098 0.86 OPRD1 (0.48) OPRD1OPRM1OPRK1GLP1RSCTR
SCHEMBL30274819 0.86 OPRD1 (0.51) OPRD1OPRM1OPRK1GLP1RANPEP
SCHEMBL29994509 0.85 OPRD1 (0.56) OPRD1OPRM1OPRK1
SCHEMBL30974312 0.85 OPRD1 (0.63) OPRD1OPRM1OPRK1GLP1RSCTR
SCHEMBL30272474 0.85 OPRM1 (0.38) OPRD1OPRM1GLP1RSCTRC5AR1
SCHEMBL29723185 0.85 OPRD1 (0.53) OPRD1OPRM1OPRK1
SCHEMBL29531471 0.84 ACE (0.47) OPRD1ANPEPLNPEPMMEACE
SCHEMBL30426861 0.84 OPRD1 (0.56) OPRD1OPRM1OPRK1

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-111373028-B Method for producing protein 正大天晴药业集团南京顺欣制药有限公司 2022-07-05 — — CN claimed
CN-111373028-B Method for producing protein 正大天晴药业集团南京顺欣制药有限公司 2022-07-05 — — CN disclosed
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