SCHEMBL8976602

SCHEMBL8976602

CCCCc1nc(SC)c(C(=O)O)n1Cc1ccc(-c2ccccc2S(=O)(=O)NC(=O)NCCC)cc1.CCCCc1nc(SC)c(C(=O)O)n1Cc1ccc(-c2ccccc2S(=O)(=O)NC(=O)NCCC)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
AGTR2 P50052 7/20 1.00
AGTR1 P30556 6/20 1.00

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
SCHEMBL7701057 1.00 AGTR2 (1.00) AGTR2AGTR1
Potassium SCHEMBL8976441 0.99 AGTR2 (0.98) AGTR2AGTR1
SCHEMBL8976768 0.99 AGTR2 (0.98) AGTR2AGTR1
SCHEMBL7021272 0.95 AGTR2 (1.00) AGTR2AGTR1
SCHEMBL8348232 0.94 AGTR2 (0.90) AGTR2AGTR1
SCHEMBL8346714 0.93 AGTR2 (0.87) AGTR2AGTR1
SCHEMBL8348141 0.93 AGTR2 (1.00) AGTR2AGTR1
SCHEMBL7022990 0.93 AGTR2 (0.89) AGTR2AGTR1
Potassium Ion SCHEMBL29486795 0.92 AGTR2 (1.00) AGTR2AGTR1
Potassium Ion SCHEMBL8976436 0.92 AGTR2 (1.00) AGTR2AGTR1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5391732-A Cardiotonic agents, hypotensive agents, antispasmodic agents ROUSSEL-UCLAF (FR) 1995-02-21 US claimed
US-5527919-A Process for the preparation of 1-[(1,1'-biphenyl]-4-YL]-methyl-1H-imidazole-5-carboxylic acids ROUSSEL UCLAF (FR) 1996-06-18 US disclosed
US-5493046-A A 1-((4-PHENYL)PHENYL)-METHYLENE)IMIDAZOLE ROUSSEL-UCLAF (FR) 1996-02-20 US disclosed
US-5391732-A Cardiotonic agents, hypotensive agents, antispasmodic agents ROUSSEL-UCLAF (FR) 1995-02-21 US disclosed