SCHEMBL9154041

SCHEMBL9154041

CCCCc1c(Cc2ccc(-c3ccccc3-c3nnn(C(c4ccccc4)(c4ccccc4)c4ccccc4)n3)cc2)c(COCc2ccccc2)nn1CC(C)C

nearest known ligand 0.54

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 3/20 0.43
AGTR2 P50052 2/20 0.38

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
SCHEMBL9154179 0.95 AGTR1 (0.40) AGTR1
SCHEMBL9153348 0.94 AGTR1 (0.43) AGTR1AGTR2
SCHEMBL9153306 0.93 AGTR1 (0.45) AGTR1
SCHEMBL9153260 0.92 AGTR1 (0.45) AGTR1
SCHEMBL9148774 0.92 AGTR1 (0.45) AGTR1
SCHEMBL9153924 0.91 AGTR1 (0.40) AGTR1
SCHEMBL9539171 0.90 AGTR1 (0.44) AGTR1AGTR2
SCHEMBL9152287 0.89 AGTR1 (0.46) AGTR1
SCHEMBL9156391 0.88 AGTR1 (0.42) AGTR1AGTR2
SCHEMBL9153032 0.88 AGTR1 (0.41) 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 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