SCHEMBL30398539

SCHEMBL30398539

NCCCC[C@H](NC(=O)[C@@H](N)CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CS)C(N)=O

nearest known ligand 0.59

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ F2 P00734 1/20 0.59
▸ STAT6 P42226 1/20 0.57
▸ OPRM1 P35372 2/20 0.56
▸ OPRD1 P41143 2/20 0.56
▸ OPRK1 P41145 2/20 0.56
▸ NMUR2 Q9GZQ4 1/20 0.55
▸ NMUR1 Q9HB89 1/20 0.55

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
SCHEMBL31513749 0.85 OPRM1 (0.59) F2OPRM1OPRD1
SCHEMBL31621499 0.84 ACE (0.64) F2OPRK1
SCHEMBL31756935 0.83 F2 (0.65) F2OPRM1OPRD1OPRK1
SCHEMBL7463168 0.83 OPRK1 (0.60) F2OPRM1OPRD1OPRK1
SCHEMBL30556353 0.83 F2 (0.56) F2OPRM1OPRK1NMUR2NMUR1
SCHEMBL30273400 0.82 OPRM1 (0.64) F2OPRM1OPRD1
SCHEMBL29608732 0.82 F2 (0.60) F2OPRM1OPRK1
SCHEMBL31679387 0.82 OPRM1 (0.66) F2OPRM1OPRD1
SCHEMBL30609950 0.82 F2 (0.67) F2OPRM1OPRD1OPRK1
SCHEMBL31114492 0.81 NTSR2 (0.60) F2OPRM1

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-111269312-B Heterologous fusion protein 鲁南制药集团股份有限公司 2023-05-09 — — CN disclosed
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