SCHEMBL31049833

SCHEMBL31049833

CCCCCC[C@](N)(CS)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)O)[C@@H](C)O

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ SLC6A2 P23975 1/20 0.45
▸ MAPK8 P45983 1/20 0.44
▸ MAPK9 P45984 1/20 0.44
▸ MAPK10 P53779 1/20 0.44
▸ NMUR2 Q9GZQ4 5/20 0.41
▸ NMUR1 Q9HB89 5/20 0.41
▸ CALCRL Q16602 3/20 0.41
▸ AGTR2 P50052 4/20 0.41
▸ AGTR1 P30556 3/20 0.41
▸ RAMP1 O60894 1/20 0.40
▸ F2 P00734 1/20 0.40
▸ PLG P00747 1/20 0.40
▸ ANPEP P15144 1/20 0.40
▸ LNPEP Q9UIQ6 1/20 0.40
▸ ACE P12821 2/20 0.40
▸ ACE2 Q9BYF1 2/20 0.40

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
SCHEMBL30856561 0.97 MAPK8 (0.46) SLC6A2MAPK8MAPK9MAPK10NMUR2
SCHEMBL31049830 0.92 NMUR2 (0.39) SLC6A2MAPK8MAPK9MAPK10NMUR2
SCHEMBL31049846 0.92 GRB2 (0.39) SLC6A2MAPK8MAPK9MAPK10NMUR2
SCHEMBL31049839 0.91 MAPK8 (0.38) SLC6A2MAPK8MAPK9MAPK10NMUR2
SCHEMBL31049836 0.91 IL23R (0.43) SLC6A2MAPK8MAPK9MAPK10NMUR2
SCHEMBL31049847 0.89 MAPK8 (0.41) MAPK8MAPK9MAPK10NMUR2NMUR1
SCHEMBL31049832 0.87 OPRK1 (0.39) MAPK8MAPK9MAPK10NMUR2NMUR1
SCHEMBL29506913 0.86 MAPK8 (0.50) SLC6A2MAPK8MAPK9MAPK10NMUR2
SCHEMBL29506914 0.86 MAPK8 (0.51) SLC6A2MAPK8MAPK9MAPK10NMUR2
SCHEMBL31490515 0.85 MAPK8 (0.54) SLC6A2MAPK8MAPK9MAPK10NMUR2

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
WO-2024165072-A1 POLYPEPTIDE COMPOUND AND USE THEREOF 成都纽瑞特医疗科技股份有限公司 2024-08-15 — — WO disclosed
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