SCHEMBL29746989

SCHEMBL29746989

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

nearest known ligand 0.54

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ SLC6A2 P23975 1/20 0.54
▸ EPHA2 P29317 2/20 0.52
▸ F2 P00734 1/20 0.52
▸ CALCRL Q16602 1/20 0.52
▸ NTSR2 O95665 1/20 0.52
▸ NTSR1 P30989 1/20 0.52
▸ NMUR2 Q9GZQ4 1/20 0.51
▸ OPRM1 P35372 2/20 0.51

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
SCHEMBL29470181 0.90 SLC6A2 (0.59) SLC6A2NTSR2NTSR1NMUR2OPRM1
SCHEMBL30343609 0.88 OPRM1 (0.56) SLC6A2NTSR2NTSR1NMUR2OPRM1
SCHEMBL31483575 0.87 SLC6A2 (0.58) SLC6A2F2NTSR2NTSR1OPRM1
SCHEMBL29591691 0.87 SLC6A2 (0.58) SLC6A2NTSR2NTSR1OPRM1
SCHEMBL38650937 0.86 NTSR1 (0.58) SLC6A2NTSR2NTSR1NMUR2
SCHEMBL30930530 0.86 NPY2R (0.54) EPHA2NMUR2OPRM1
SCHEMBL29591862 0.85 SLC6A2 (0.60) SLC6A2NTSR2NTSR1OPRM1
SCHEMBL31114351 0.84 SLC6A2 (0.54) SLC6A2F2OPRM1
SCHEMBL30753167 0.84 NMUR2 (0.57) F2CALCRLNMUR2
SCHEMBL29630445 0.84 SLC6A2 (0.59) SLC6A2NTSR2NTSR1OPRM1

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
US-20220242947-A1 PROVASOPRESSIN ANTAGONISTS AND USES THEREOF WOOMERA THERAPEUTICS 2022-08-04 — — US disclosed
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