SCHEMBL8436347

SCHEMBL8436347

CCCCc1nc([N+](=O)[O-])c(CSCC(=O)O)n1Cc1ccc(C(=O)O)cc1

nearest known ligand 0.57

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 6/20 0.57
AGTR2 P50052 6/20 0.57
TLR7 Q9NYK1 1/20 0.45

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
SCHEMBL8434713 0.83 AGTR1 (0.52) AGTR1AGTR2
SCHEMBL8434715 0.82 AGTR1 (0.50) AGTR1AGTR2TLR7
SCHEMBL9030291 0.81 AGTR1 (0.57) AGTR1AGTR2
SCHEMBL8434651 0.81 AGTR1 (0.49) AGTR1AGTR2TLR7
SCHEMBL8438879 0.76 AGTR1 (0.68) AGTR1AGTR2
Water SCHEMBL8433835 0.75 AGTR1 (0.67) AGTR1AGTR2
SCHEMBL251 0.73 AGTR1 (1.00) AGTR1AGTR2
SCHEMBL345 0.73 AGTR1 (0.75) AGTR1AGTR2
SCHEMBL159 0.72 AGTR1 (0.81) AGTR1AGTR2
SCHEMBL8434404 0.71 TLR7 (0.52) AGTR1AGTR2TLR7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5929249-A ANGIOTENSIN II RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1999-07-27 US claimed
EP-0653937-A4 CHEMICAL COMPOUNDS. SMITHKLINE BEECHAM CORP (US) 1996-07-31 EP claimed
EP-0653937-A1 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 1995-05-24 EP claimed
WO-1994000120-A1 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 1994-01-06 WO claimed
US-5929249-A ANGIOTENSIN II RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1999-07-27 US disclosed
US-5728842-A ANGIOTENSIN II RECEPTOR ANTAGONIST SMITHKLINE BEECHAM CORPORATION (US) 1998-03-17 US disclosed
EP-0653937-A4 CHEMICAL COMPOUNDS. SMITHKLINE BEECHAM CORP (US) 1996-07-31 EP disclosed
EP-0653937-A1 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 1995-05-24 EP disclosed
WO-1994000120-A1 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 1994-01-06 WO disclosed