SCHEMBL30102030

SCHEMBL30102030

NC(=O)C[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@@H](N)CO)C(=O)N1CCC[C@H]1C(=O)NCC(=O)O

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ OPRM1 P35372 4/20 0.43
▸ OPRD1 P41143 4/20 0.43
▸ BDKRB2 P30411 2/20 0.43
▸ F2R P25116 2/20 0.42
▸ KEAP1 Q14145 4/20 0.42
▸ NMUR2 Q9GZQ4 4/20 0.41
▸ NMUR1 Q9HB89 3/20 0.41
▸ F2 P00734 1/20 0.37

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
SCHEMBL30695667 0.83 BDKRB2 (0.47) OPRM1OPRD1BDKRB2F2RF2
SCHEMBL30102272 0.81 CXCR4 (0.41) OPRM1OPRD1BDKRB2KEAP1F2
SCHEMBL30102212 0.81 NMUR2 (0.45) BDKRB2KEAP1NMUR2NMUR1
SCHEMBL32662851 0.80 F2R (0.48) OPRM1OPRD1BDKRB2F2RNMUR2
SCHEMBL31031507 0.80 F2 (0.47) OPRM1OPRD1BDKRB2KEAP1F2
SCHEMBL31037026 0.80 CXCR4 (0.47) OPRM1OPRD1BDKRB2KEAP1NMUR2
SCHEMBL30973993 0.80 BACE1 (0.47) OPRM1OPRD1KEAP1
SCHEMBL29565767 0.80 XIAP (0.42) OPRM1OPRD1NMUR2NMUR1
SCHEMBL29565604 0.80 ACE (0.44) OPRM1OPRD1KEAP1
SCHEMBL30918517 0.80 OPRM1 (0.49) OPRM1OPRD1BDKRB2

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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