SCHEMBL29534036

SCHEMBL29534036

CCCC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(=O)O

nearest known ligand 0.55

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ OPRD1 P41143 18/20 0.55
▸ OPRM1 P35372 6/20 0.55
▸ CCKBR P32239 4/20 0.51
▸ CCKAR P32238 3/20 0.51
▸ OPRK1 P41145 1/20 0.48

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
SCHEMBL31074760 0.89 OPRD1 (0.52) OPRD1OPRM1OPRK1
SCHEMBL29534731 0.87 OPRD1 (0.54) OPRD1OPRM1OPRK1
SCHEMBL10596196 0.87 OPRD1 (0.64) OPRD1OPRM1OPRK1
SCHEMBL30175915 0.86 OPRD1 (0.59) OPRD1OPRM1OPRK1
SCHEMBL7588275 0.86 OPRD1 (0.59) OPRD1OPRM1OPRK1
SCHEMBL7588269 0.86 OPRD1 (0.59) OPRD1OPRM1OPRK1
SCHEMBL29794150 0.83 OPRD1 (0.70) OPRD1OPRM1OPRK1
SCHEMBL31253360 0.82 LNPEP (0.56) OPRD1OPRM1OPRK1
SCHEMBL30974021 0.82 BACE1 (0.53) OPRD1
SCHEMBL30292651 0.81 NAALAD2 (0.53) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220133839-A1 PEPTIDE ANALOGUES WITH BRANCHED AMINO ACID PROBE(S) TXP PHARMA GMBH (CH) 2022-05-05 — — US disclosed
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