SCHEMBL30512493

SCHEMBL30512493

CC(C)C[C@H](NC(=O)CNC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)O)[C@@H](C)O

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ RAMP3 O60896 14/20 0.54
▸ CALCR P30988 14/20 0.54
▸ MAPK8 P45983 1/20 0.49
▸ MAPK9 P45984 1/20 0.49
▸ MAPK10 P53779 1/20 0.49
▸ EP300 Q09472 1/20 0.47
▸ HIF1A Q16665 1/20 0.47
▸ KEAP1 Q14145 1/20 0.46
▸ CXCR4 P61073 1/20 0.46
▸ NMUR2 Q9GZQ4 1/20 0.46
▸ NMUR1 Q9HB89 1/20 0.46

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
SCHEMBL29783025 0.90 RAMP3 (0.53) RAMP3CALCRCXCR4NMUR2NMUR1
SCHEMBL31467773 0.89 RAMP3 (0.51) RAMP3CALCRCXCR4
SCHEMBL29782941 0.87 CXCR4 (0.53) RAMP3CALCRCXCR4
SCHEMBL29905998 0.86 KEAP1 (0.45) RAMP3CALCRKEAP1CXCR4
SCHEMBL30868635 0.86 KEAP1 (0.45) RAMP3CALCRKEAP1CXCR4
SCHEMBL30957282 0.86 EPHA2 (0.49) RAMP3CALCRMAPK8MAPK9MAPK10
SCHEMBL30868640 0.86 NMUR2 (0.44) RAMP3CALCRMAPK8MAPK9MAPK10
SCHEMBL30868651 0.85 KEAP1 (0.44) RAMP3CALCRKEAP1CXCR4NMUR2
SCHEMBL30437447 0.85 RAMP3 (0.58) RAMP3CALCRCXCR4
SCHEMBL29783021 0.84 OPRM1 (0.54) RAMP3CALCRKEAP1NMUR2NMUR1

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-116490215-A Targeted mediated endocytic drug delivery CRM医疗有限公司 2023-07-25 — — CN disclosed
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