SCHEMBL9155332

SCHEMBL9155332

CCCCc1c(Cc2ccc(-c3ccccc3-c3nnn[nH]3)cc2)c(CO)nn1CC

nearest known ligand 0.53

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 2/20 0.41
AGTR2 P50052 1/20 0.41

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
SCHEMBL9153686 0.94
SCHEMBL9152704 0.94 AGTR1 (0.47) AGTR1
SCHEMBL9152320 0.94 AGTR1 (0.43) AGTR1AGTR2
SCHEMBL9157140 0.93
SCHEMBL9151719 0.91 AGTR1 (0.39) AGTR1
SCHEMBL9149808 0.91 PTGDR2 (0.37)
SCHEMBL9540406 0.90
SCHEMBL9154568 0.90 AGTR1 (0.42) AGTR1
SCHEMBL9540644 0.90 AGTR1 (0.46) AGTR1AGTR2
SCHEMBL9153367 0.89

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5389659-A Hypotensive agents GLAXO GROUP LIMITED (GB) 1995-02-14 US disclosed
WO-1993005025-A1 C-LINKED PYRAZOLE DERIVATIVES GLAXO GROUP LIMITED (GB) 1993-03-18 WO disclosed
EP-0446062-A1 C-Linked pyrazole derivatives GLAXO GROUP LIMITED (GB) 1991-09-11 EP disclosed