SCHEMBL30512535

SCHEMBL30512535

CC(C)C[C@H](N)C(=O)N[C@@H](CS)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(=O)O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(N)=O)C(=O)O

nearest known ligand 0.63

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ NMUR2 Q9GZQ4 7/20 0.63
▸ NMUR1 Q9HB89 6/20 0.63
▸ CXCR4 P61073 3/20 0.57
▸ OPRM1 P35372 2/20 0.55
▸ OPRD1 P41143 2/20 0.55
▸ RAMP3 O60896 1/20 0.55
▸ CALCR P30988 1/20 0.55
▸ KEAP1 Q14145 2/20 0.54
▸ KDM1A O60341 1/20 0.54
▸ MAOB P27338 1/20 0.54
▸ KDM5A P29375 1/20 0.54
▸ KDM1B Q8NB78 1/20 0.54
▸ MAPK8 P45983 1/20 0.54
▸ MAPK9 P45984 1/20 0.54
▸ MAPK10 P53779 1/20 0.54
▸ NPY1R P25929 2/20 0.54
▸ NPY2R P49146 1/20 0.54
▸ NPY4R P50391 1/20 0.54
▸ NPY5R Q15761 1/20 0.54

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
SCHEMBL29663605 0.90 NMUR2 (0.55) NMUR2NMUR1OPRM1OPRD1KDM1A
SCHEMBL30895015 0.90 RAMP3 (0.63) NMUR2NMUR1RAMP3CALCRKEAP1
SCHEMBL30479459 0.88 NMUR2 (0.53) NMUR2NMUR1OPRM1OPRD1NPY1R
SCHEMBL29865041 0.87 OPRM1 (0.62) NMUR2NMUR1CXCR4OPRM1OPRD1
SCHEMBL29864847 0.87 OPRM1 (0.62) NMUR2NMUR1CXCR4OPRM1OPRD1
SCHEMBL29865083 0.87 OPRM1 (0.62) NMUR2NMUR1CXCR4OPRM1OPRD1
SCHEMBL31119895 0.87 NMUR2 (0.60) NMUR2NMUR1CXCR4OPRM1OPRD1
SCHEMBL30556351 0.87 NMUR2 (0.60) NMUR2NMUR1CXCR4OPRM1OPRD1
SCHEMBL30567748 0.87 NMUR2 (0.65) NMUR2NMUR1KEAP1KDM1ANPY1R
SCHEMBL17722486 0.87 TFPI (0.66) NMUR2NMUR1CXCR4RAMP3CALCR

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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