SCHEMBL8433776

SCHEMBL8433776

CCCCc1ncc(CSc2ncccc2C(=O)O)n1Cc1ccc(C(=O)O)cc1

nearest known ligand 0.63

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 2/20 0.58

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
SCHEMBL9543106 0.91 AGTR1 (0.53) AGTR1
SCHEMBL8436450 0.88 AGTR1 (0.61) AGTR1
SCHEMBL8437135 0.84 AGTR1 (0.66) AGTR1
SCHEMBL8438879 0.81 AGTR1 (0.68) AGTR1
SCHEMBL8435150 0.81 AGTR1 (0.45) AGTR1
SCHEMBL8434707 0.81 AGTR1 (0.60) AGTR1
SCHEMBL8434246 0.81 AGTR1 (0.60) AGTR1
Water SCHEMBL8433835 0.81 AGTR1 (0.67) AGTR1
SCHEMBL8436449 0.80 AGTR1 (0.58) AGTR1
SCHEMBL9386649 0.79 AGTR1 (0.65) AGTR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5728842-A ANGIOTENSIN II RECEPTOR ANTAGONIST SMITHKLINE BEECHAM CORPORATION (US) 1998-03-17 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
WO-1993006828-A1 MEDICAMENT FOR THE TREATMENT OF ANXIETY SMITHKLINE BEECHAM CORPORATION (US) 1993-04-15 WO disclosed