SCHEMBL30104127

SCHEMBL30104127

CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NCl)C(=O)NCC(=O)N[C@@H](CO)C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ ACE P12821 5/20 0.52
▸ MME P08473 1/20 0.52
▸ CPA1 P15085 1/20 0.52
▸ ACE2 Q9BYF1 1/20 0.52
▸ OPRD1 P41143 11/20 0.49
▸ OPRM1 P35372 9/20 0.49
▸ OPRK1 P41145 2/20 0.49

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
SCHEMBL29472198 0.89 OPRD1 (0.58) ACEMMECPA1ACE2OPRD1
SCHEMBL29472194 0.87 CTSS (0.54) ACEMMECPA1ACE2OPRD1
SCHEMBL30887562 0.86 OPRD1 (0.64) OPRD1OPRM1OPRK1
SCHEMBL29472195 0.83 F2 (0.52) OPRD1OPRM1OPRK1
SCHEMBL29994099 0.82 OPRD1 (0.65) ACEMMECPA1ACE2OPRD1
SCHEMBL31257021 0.82 OPRD1 (0.56) OPRD1OPRM1OPRK1
SCHEMBL13402647 0.81 ACE (0.58) ACEMMECPA1ACE2
SCHEMBL29472190 0.81 OPRD1 (0.54) OPRD1OPRM1OPRK1
SCHEMBL31256991 0.80 OPRD1 (0.58) OPRD1OPRM1OPRK1
SCHEMBL31090007 0.79 ACE (0.61) ACEMMECPA1ACE2OPRD1

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-115353546-B Preparation and application of oligopeptide modified bisindolylethyl-beta-carboline-3-carboxylic acid 首都医科大学 2024-10-08 — — CN disclosed
CN-115353546-A Preparation and application of oligopeptide-modified bis-indolylethyl-beta-carboline-3-carboxylic acid 首都医科大学 2022-11-18 — — CN disclosed
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