SCHEMBL30102155

SCHEMBL30102155

CC(C)C[C@H](NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)Cc1ccccc1)C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ OPRD1 P41143 5/20 0.55
▸ OPRM1 P35372 4/20 0.55
▸ KEAP1 Q14145 5/20 0.53
▸ NMUR2 Q9GZQ4 6/20 0.53
▸ NMUR1 Q9HB89 5/20 0.53

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
SCHEMBL15094385 0.86 OPRM1 (0.60) OPRD1OPRM1NMUR2NMUR1
SCHEMBL15094382 0.86 OPRM1 (0.60) OPRD1OPRM1NMUR2NMUR1
SCHEMBL30695673 0.84 NTSR1 (0.44) OPRD1OPRM1KEAP1NMUR2NMUR1
SCHEMBL29575782 0.84 OPRM1 (0.56) OPRD1OPRM1NMUR2NMUR1
SCHEMBL29576287 0.84 SLC6A2 (0.58) OPRD1OPRM1
SCHEMBL31433399 0.83 KEAP1 (0.61) OPRD1OPRM1KEAP1NMUR2NMUR1
SCHEMBL29358225 0.83 OPRD1 (0.68) OPRD1OPRM1NMUR2NMUR1
SCHEMBL8341607 0.82 OPRD1 (0.55) OPRD1OPRM1KEAP1NMUR2NMUR1
SCHEMBL8341612 0.82 OPRD1 (0.55) OPRD1OPRM1KEAP1NMUR2NMUR1
SCHEMBL29429570 0.82 OPRD1 (0.60) OPRD1OPRM1

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-115109816-A Method for preparing elastin peptide, elastin peptide prepared thereby and uses thereof 安徽盛美诺生物技术有限公司 2022-09-27 — — CN disclosed
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