SCHEMBL1929460

SCHEMBL1929460

CCCc1ccnn1Cc1ccc(-c2ccccc2-c2nc(=O)o[nH]2)cc1

nearest known ligand 0.41

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 3/20 0.37
AGTR2 P50052 2/20 0.37
PPARG P37231 1/20 0.37

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
SCHEMBL3771299 0.82 PPARG (0.45) AGTR1AGTR2PPARG
SCHEMBL1926924 0.79 AGTR1 (0.39) AGTR1AGTR2
SCHEMBL18069704 0.78 NOTUM (0.39)
SCHEMBL7008748 0.76 PPARG (0.45) AGTR1AGTR2PPARG
SCHEMBL7015044 0.75 PDE4A (0.55) PPARG
SCHEMBL9485855 0.74 AGTR1 (0.43) AGTR1AGTR2PPARG
SCHEMBL7021255 0.73 AGTR2 (0.40) AGTR1AGTR2
SCHEMBL31069898 0.73 DCUN1D1 (0.33)
SCHEMBL9284864 0.73 DCUN1D1 (0.33) AGTR1
SCHEMBL653868 0.73 MME (0.40) AGTR1PPARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7956054-B2 Dual-acting pyrazole antihypertensive agents THERAVANCE, INC. (US) 2011-06-07 US disclosed