SCHEMBL30512494

SCHEMBL30512494

CC[C@H](C)[C@H](NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CO)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CO)C(=O)N[C@@H](CC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)O)[C@@H](C)O

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MAPK8 P45983 1/20 0.54
▸ MAPK9 P45984 1/20 0.54
▸ MAPK10 P53779 1/20 0.54
▸ APLNR P35414 1/20 0.52
▸ F2 P00734 4/20 0.51
▸ EP300 Q09472 1/20 0.51
▸ HIF1A Q16665 1/20 0.51
▸ CALCR P30988 6/20 0.50
▸ PLK1 P53350 1/20 0.50
▸ RAMP3 O60896 3/20 0.49
▸ KEAP1 Q14145 1/20 0.48
▸ NPY2R P49146 3/20 0.48
▸ NPY4R P50391 3/20 0.48
▸ NPY5R Q15761 3/20 0.48
▸ NPY1R P25929 2/20 0.48

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
SCHEMBL29416004 0.90 NPY2R (0.59) MAPK8MAPK9MAPK10F2EP300
SCHEMBL30432802 0.89 CALCR (0.56) MAPK8MAPK9MAPK10CALCRNPY2R
SCHEMBL29943968 0.89 CALCR (0.60) CALCRRAMP3KEAP1
SCHEMBL29608399 0.88 NTSR2 (0.55) APLNRF2
SCHEMBL29608877 0.87 APLNR (0.50) APLNRF2CALCRPLK1RAMP3
SCHEMBL29607122 0.87 C5AR1 (0.56) APLNRF2PLK1NPY2RNPY4R
SCHEMBL29607016 0.87 C5AR1 (0.56) APLNRF2PLK1NPY2RNPY4R
SCHEMBL30325295 0.87 F2 (0.56) APLNRF2CALCRNPY2RNPY4R
SCHEMBL29416132 0.87 APLNR (0.56) APLNRF2
SCHEMBL30646310 0.87 APLNR (0.56) APLNRF2

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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