SCHEMBL4784053

SCHEMBL4784053

CCCCc1nc(SC)c(C(=O)O)n1Cc1ccc(-c2ccccc2)c(S(=O)(=O)NC(=O)NCCC)c1.[KH].[KH]

nearest known ligand 0.83

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
AGTR2 P50052 7/20 0.83
AGTR1 P30556 6/20 0.83

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
SCHEMBL16100919 0.99 AGTR2 (0.84) AGTR2AGTR1
SCHEMBL9134474 0.95 AGTR2 (0.84) AGTR2AGTR1
Potassium Ion SCHEMBL30604717 0.93 AGTR2 (0.84) AGTR2AGTR1
Potassium Ion SCHEMBL612505 0.93 AGTR2 (0.84) AGTR2AGTR1
SCHEMBL8976768 0.92 AGTR2 (0.98) AGTR2AGTR1
SCHEMBL8976602 0.91 AGTR2 (1.00) AGTR2AGTR1
SCHEMBL7701057 0.91 AGTR2 (1.00) AGTR2AGTR1
Potassium SCHEMBL8976441 0.90 AGTR2 (0.98) AGTR2AGTR1
SCHEMBL7021272 0.86 AGTR2 (1.00) AGTR2AGTR1
SCHEMBL9134993 0.85 AGTR2 (0.84) 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-20200283480-A1 AGONISTS OF GUANYLATE CYCLASE USEFUL FOR THE TREATMENT OF GASTROINTESTINAL DISORDERS, INFLAMMATION, CANCER AND OTHER DISORDERS BAUSCH HEALTH COMPANIES INC. (CA) 2020-09-10 US disclosed
WO-2008039829-A2 DIPHENYLHETEROCYCLE CHOLESTEROL ABSORPTION INHIBITORS IRONWOOD PHARMACEUTICALS, INC. (US) 2008-04-03 WO disclosed
EP-1851197-A2 PHENYLAZETIDINONE DERIVATIVES Microbia, Inc. (US) 2007-11-07 EP disclosed
WO-2006086562-A2 PHENYLAZETIDINONE DERIVATIVES MICROBIA, INC. (US) 2006-08-17 WO disclosed