SCHEMBL9156261

SCHEMBL9156261

CCCCc1nn(C(C)C)c(C=O)c1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1

nearest known ligand 0.45

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 1/20 0.44
AGTR2 P50052 1/20 0.44
GP6 Q9HCN6 1/20 0.42

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
SCHEMBL9154893 0.95 AGTR2 (0.41) AGTR1AGTR2
SCHEMBL9149793 0.89 AGTR1 (0.46) AGTR1AGTR2
SCHEMBL9149447 0.88 GP6 (0.43) GP6
SCHEMBL9151079 0.88 GP6 (0.41) GP6
SCHEMBL9151903 0.88 GP6 (0.43) AGTR1AGTR2GP6
SCHEMBL9150272 0.88 AGTR1 (0.44) AGTR1AGTR2GP6
SCHEMBL9150325 0.87 AGTR1 (0.42) AGTR1AGTR2
SCHEMBL9154662 0.86
SCHEMBL9156746 0.84 AGTR1 (0.42) AGTR1AGTR2
SCHEMBL9156443 0.84

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-1993005025-A1 C-LINKED PYRAZOLE DERIVATIVES GLAXO GROUP LIMITED (GB) 1993-03-18 WO claimed
EP-0446062-A1 C-Linked pyrazole derivatives GLAXO GROUP LIMITED (GB) 1991-09-11 EP claimed
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