SCHEMBL8548670

SCHEMBL8548670

CCOC(=O)c1c(C2CC2)nc(CC)n1Cc1c2ccocc-2c(Br)c1-c1ccccc1-c1nnn[nH]1

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.35
TSHR P16473 1/20 0.35
AGTR1 P30556 2/20 0.31
AGTR2 P50052 2/20 0.31
LMNA P02545 1/20 0.30
MAPT P10636 1/20 0.30
HTT P42858 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
PPARG P37231 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
SCHEMBL8547883 0.92 PPARG (0.32) AGTR1AGTR2PPARG
Hydrochloric Acid SCHEMBL9310047 0.89 AGTR1 (0.33) AGTR1AGTR2
SCHEMBL8544240 0.89 AGTR1 (0.30) AGTR1AGTR2
SCHEMBL9309949 0.89 AGTR1 (0.34) AGTR1AGTR2
SCHEMBL9429570 0.86 ALDH1A1 (0.38) ALDH1A1TSHRAGTR1AGTR2
SCHEMBL8545688 0.86 ALDH1A1 (0.38) ALDH1A1TSHRLMNAMAPTHTT
SCHEMBL9312813 0.84 AGTR1 (0.40) AGTR1AGTR2
SCHEMBL9310018 0.84 MAPK1 (0.34) AGTR1AGTR2MAPT
SCHEMBL8543440 0.84 ALDH1A1 (0.36) ALDH1A1TSHRLMNAMAPTHTT
SCHEMBL9429517 0.84 ALDH1A1 (0.36) ALDH1A1TSHR

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
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