SCHEMBL9540644

SCHEMBL9540644

CCCCc1c(Cc2ccc(-c3ccccc3-c3nnn[nH]3)cc2)c(CO)nn1CC1CC1

nearest known ligand 0.46

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 2/20 0.46
AGTR2 P50052 1/20 0.46
SLC33A1 O00400 3/20 0.40

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
SCHEMBL9150664 0.93 AGTR1 (0.46) AGTR1AGTR2SLC33A1
SCHEMBL9155332 0.90 AGTR1 (0.41) AGTR1AGTR2
SCHEMBL9152704 0.89 AGTR1 (0.47) AGTR1
SCHEMBL9152320 0.89 AGTR1 (0.43) AGTR1AGTR2
SCHEMBL9151719 0.86 AGTR1 (0.39) AGTR1
SCHEMBL9540406 0.86
SCHEMBL9154568 0.85 AGTR1 (0.42) AGTR1
SCHEMBL9151511 0.85
SCHEMBL9151481 0.84 AGTR1 (0.47) AGTR1AGTR2
SCHEMBL9153686 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 2 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 disclosed
EP-0446062-A1 C-Linked pyrazole derivatives GLAXO GROUP LIMITED (GB) 1991-09-11 EP disclosed