SCHEMBL8548762

SCHEMBL8548762

CCOc1nc(C)c(C(=O)O)n1Cc1c2ccocc-2c(Br)c1-c1ccccc1-c1nnn[nH]1

nearest known ligand 0.32

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ABCB11 O95342 1/20 0.30
EGFR P00533 1/20 0.30
ERBB2 P04626 1/20 0.30
CYP3A4 P08684 1/20 0.30
ADORA3 P0DMS8 1/20 0.30
CYP2C9 P11712 1/20 0.30
ADRB3 P13945 1/20 0.30
ADRA2B P18089 1/20 0.30
SLC6A2 P23975 1/20 0.30
TBXAS1 P24557 1/20 0.30
HTR2C P28335 1/20 0.30
AGTR1 P30556 1/20 0.30
PPARG P37231 1/20 0.30
HTR2B P41595 1/20 0.30
AGTR2 P50052 1/20 0.30
PDE3A Q14432 1/20 0.30
LTB4R2 Q9NPC1 1/20 0.30

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
SCHEMBL8547467 0.92 AGTR1 (0.33) ABCB11EGFRERBB2CYP3A4ADORA3
SCHEMBL9309541 0.91
SCHEMBL9859908 0.89 AGTR1 (0.32) AGTR1AGTR2
Hydrochloric Acid SCHEMBL9309853 0.89 AGTR1 (0.31) AGTR1AGTR2
SCHEMBL9309539 0.88 AGTR1 (0.36) AGTR1AGTR2
SCHEMBL9310018 0.87 MAPK1 (0.34) AGTR1AGTR2
SCHEMBL8547500 0.87
SCHEMBL9309706 0.87 AGTR1 (0.40) AGTR1PPARGAGTR2
SCHEMBL9309007 0.86 AGTR1 (0.38) AGTR1PPARGAGTR2
SCHEMBL8548745 0.86 AGTR1 (0.37) AGTR1AGTR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0514198-B1 1H-Imidazol-1-yl-methyl benzofuran derivatives with the imidazolyl moiety being substituted by a cycloalkyl group GLAXO GROUP LTD (GB) 1998-08-05 EP claimed
WO-1992020674-A1 1H-IMIDAZOL-1-YL-METHYL BENZOFURAN DERIVATIVES, WITH THE IMIDAZOLYL MOIETY BEING SUBSTITUTED BY A CYCLOALKYL GROUP GLAXO GROUP LIMITED (GB) 1992-11-26 WO claimed
EP-0514198-A1 1H-Imidazol-1-yl-methyl benzofuran derivatives with the imidazolyl moiety being substituted by a cycloalkyl group GLAXO GROUP LIMITED (GB) 1992-11-19 EP claimed
EP-0514198-B1 1H-Imidazol-1-yl-methyl benzofuran derivatives with the imidazolyl moiety being substituted by a cycloalkyl group GLAXO GROUP LTD (GB) 1998-08-05 EP disclosed
US-5498722-A HYPOTENSIVES GLAXO GROUP (GB) 1996-03-12 US disclosed
US-5332831-A Angiotensin antagonist GLAXO GROUP LIMITED (GB) 1994-07-26 US disclosed
WO-1992020674-A1 1H-IMIDAZOL-1-YL-METHYL BENZOFURAN DERIVATIVES, WITH THE IMIDAZOLYL MOIETY BEING SUBSTITUTED BY A CYCLOALKYL GROUP GLAXO GROUP LIMITED (GB) 1992-11-26 WO disclosed
EP-0514198-A1 1H-Imidazol-1-yl-methyl benzofuran derivatives with the imidazolyl moiety being substituted by a cycloalkyl group GLAXO GROUP LIMITED (GB) 1992-11-19 EP disclosed