SCHEMBL4544029

SCHEMBL4544029

CCCCc1nc(Cl)c(C=O)n1Cc1ccccc1C(=O)OC

nearest known ligand 0.61

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 2/20 0.54
AGTR2 P50052 2/20 0.54
GP6 Q9HCN6 1/20 0.49

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
SCHEMBL8439141 0.88 AGTR1 (0.53) AGTR1AGTR2GP6
SCHEMBL359 0.85 GP6 (0.63) AGTR1AGTR2GP6
SCHEMBL28517096 0.82 AGTR1 (0.56) AGTR1AGTR2GP6
SCHEMBL8791631 0.82 AGTR1 (0.62) AGTR1AGTR2GP6
SCHEMBL8791309 0.82 AGTR1 (0.60) AGTR1AGTR2GP6
SCHEMBL3324054 0.82 AGTR1 (0.59) AGTR1AGTR2GP6
SCHEMBL8792485 0.81 AGTR1 (0.64) AGTR1AGTR2GP6
SCHEMBL28517015 0.81 AGTR1 (0.54) AGTR1AGTR2GP6
SCHEMBL4544027 0.80 NPBWR1 (0.42)
SCHEMBL8719876 0.80 AGTR1 (0.57) AGTR1AGTR2GP6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009084028-A2 IMPROVED PROCESS FOR MANUFACTURING ANHYDROUS (E)-3-[2-BUTYL-1- {(4-CARBOXYPHENYL) METHYL}-1H-IMIDAZOLE-5-YL]-(THIOPHEN-2- YLMETHYL)PROP-2-ENOIC ACID METHANE SULFONATE NEULAND LABORATORIES LTD (IN) 2009-07-09 WO disclosed
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
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