SCHEMBL29587542

SCHEMBL29587542

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

nearest known ligand 0.52

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ OPRD1 P41143 11/20 0.52
▸ OPRM1 P35372 8/20 0.52
▸ OPRK1 P41145 2/20 0.51
▸ KISS1R Q969F8 9/20 0.45

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
SCHEMBL30123343 0.94 OPRD1 (0.47) OPRD1OPRM1OPRK1
SCHEMBL31256943 0.90 OPRM1 (0.42) OPRD1OPRM1OPRK1
SCHEMBL30007693 0.90 OPRD1 (0.48) OPRD1OPRM1OPRK1
SCHEMBL30400489 0.88 NPY4R (0.52) OPRD1OPRM1
SCHEMBL30464852 0.88 OPRD1 (0.51) OPRD1OPRM1OPRK1KISS1R
SCHEMBL29993760 0.87 NPY4R (0.53) OPRD1OPRM1OPRK1KISS1R
SCHEMBL29815237 0.87 NPY4R (0.51) OPRD1OPRM1OPRK1KISS1R
SCHEMBL30656917 0.86 MMP1 (0.46) OPRD1OPRM1
SCHEMBL30010932 0.86 OPRD1 (0.48) OPRD1OPRM1OPRK1
SCHEMBL31257976 0.86 EGFR (0.40) 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
CN-114409730-A Active peptide, active peptide composition and application of active peptide composition in preparation of product with anti-aging effect 深圳科兴药业有限公司 2022-04-29 — — CN disclosed
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