SCHEMBL9539414

SCHEMBL9539414

CCCCc1c(Cc2ccc(-c3ccccc3-c3nnn(C(c4ccccc4)(c4ccccc4)c4ccccc4)n3)cc2)c(COC)nn1S(=O)(=O)N(C)C

nearest known ligand 0.52

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 1/20 0.45

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
SCHEMBL9156729 0.94 AGTR1 (0.45) AGTR1
SCHEMBL9539182 0.86 AGTR1 (0.46) AGTR1
SCHEMBL9540727 0.84 AGTR1 (0.44) AGTR1
SCHEMBL9150259 0.83 AGTR1 (0.45) AGTR1
SCHEMBL9245466 0.82 AGTR1 (0.46) AGTR1
SCHEMBL9153324 0.81 AGTR1 (0.49) AGTR1
SCHEMBL9153841 0.79 PPARG (0.37)
SCHEMBL9152287 0.79 AGTR1 (0.46) AGTR1
SCHEMBL9151573 0.79 AGTR1 (0.44) AGTR1
SCHEMBL9153306 0.79 AGTR1 (0.45) 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 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