SCHEMBL30015129

SCHEMBL30015129

CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](C)N)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ SLC6A2 P23975 1/20 0.51
▸ NMUR2 Q9GZQ4 6/20 0.51
▸ NTSR2 O95665 6/20 0.51
▸ NTSR1 P30989 6/20 0.51
▸ NMUR1 Q9HB89 5/20 0.51
▸ CALCRL Q16602 1/20 0.51
▸ KISS1R Q969F8 3/20 0.50
▸ NPY1R P25929 1/20 0.49
▸ NPY2R P49146 1/20 0.49
▸ NPY4R P50391 1/20 0.49
▸ NPY5R Q15761 1/20 0.49
▸ REN P00797 1/20 0.49
▸ SORT1 Q99523 5/20 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
SCHEMBL32681273 0.86 SLC6A2 (0.56) SLC6A2NMUR2NTSR2NTSR1NMUR1
SCHEMBL30203894 0.85 NMUR2 (0.54) SLC6A2NMUR2NTSR2NTSR1NMUR1
SCHEMBL31419999 0.85 NMUR2 (0.57) SLC6A2NMUR2NMUR1NPY1RNPY2R
SCHEMBL30788009 0.84 NMUR2 (0.53) SLC6A2NMUR2NMUR1
SCHEMBL29802489 0.84 SLC6A2 (0.60) SLC6A2NTSR2NTSR1RENSORT1
SCHEMBL31556391 0.83 NMUR2 (0.55) SLC6A2NMUR2NTSR2NTSR1NMUR1
SCHEMBL30382958 0.83 SLC6A2 (0.62) SLC6A2CALCRLREN
SCHEMBL31686488 0.82 RAMP3 (0.53) NTSR2NTSR1CALCRLKISS1RNPY1R
SCHEMBL31130572 0.82 SLC6A2 (0.55) SLC6A2NTSR2NTSR1KISS1RSORT1
SCHEMBL30661452 0.82 SLC6A2 (0.67) SLC6A2NTSR2NTSR1RENSORT1

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-112694429-B Polypeptide and application thereof in preparing ACE inhibitor or blood pressure lowering product 江苏医药职业学院 2022-08-19 — — CN disclosed
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