SCHEMBL30420933

SCHEMBL30420933

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

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CAPN1 P07384 2/20 0.48
▸ OPRM1 P35372 3/20 0.47
▸ OPRD1 P41143 3/20 0.47
▸ NMUR2 Q9GZQ4 3/20 0.45
▸ NMUR1 Q9HB89 3/20 0.45
▸ CALCRL Q16602 2/20 0.44
▸ NTSR1 P30989 3/20 0.44
▸ NTSR2 O95665 2/20 0.44
▸ RAMP3 O60896 3/20 0.43
▸ CALCR P30988 3/20 0.43
▸ SORT1 Q99523 1/20 0.43
▸ F2 P00734 1/20 0.43
▸ REN P00797 1/20 0.43

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
SCHEMBL30420755 0.96 CALCRL (0.47) CAPN1OPRM1OPRD1NMUR2NMUR1
SCHEMBL30420410 0.94 KEAP1 (0.47) CAPN1OPRM1OPRD1NMUR2NMUR1
SCHEMBL29375390 0.89 CALCRL (0.48) CAPN1OPRM1OPRD1CALCRLRAMP3
SCHEMBL30432915 0.88 CALCRL (0.50) CALCRLCALCRF2
SCHEMBL30446656 0.84 OPRM1 (0.48) CAPN1OPRM1OPRD1NMUR2NMUR1
SCHEMBL30906558 0.84 RAMP3 (0.47) NMUR2NMUR1RAMP3CALCRF2
SCHEMBL30906409 0.84 RAMP3 (0.47) NMUR2NMUR1RAMP3CALCRF2
SCHEMBL30407242 0.84 CAPN1 (0.49) CAPN1CALCRLREN
SCHEMBL30099567 0.84 CAPN1 (0.48) CAPN1OPRM1OPRD1RAMP3CALCR
SCHEMBL30335933 0.84 NTSR2 (0.47) CAPN1CALCRLNTSR1NTSR2SORT1

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-116350760-A Application of CTL epitope peptide derived from new antigen ESR1 or encoding nucleic acid thereof in preparation of medicines 郑州大学 2023-06-30 — — CN disclosed
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