SCHEMBL9337063

SCHEMBL9337063

CCCCc1ccc(CF)c(=O)n1Cc1ccc(-c2ccccc2C#N)cc1

nearest known ligand 0.58

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PPARG P37231 2/20 0.52
ACHE P22303 1/20 0.49

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
SCHEMBL9337685 0.91 PPARG (0.53) PPARGACHE
SCHEMBL9337403 0.91 PPARG (0.53) PPARGACHE
SCHEMBL9339238 0.91 PPARG (0.53) PPARGACHE
SCHEMBL9337491 0.90 PPARG (0.52) PPARGACHE
SCHEMBL9337595 0.89 PPARG (0.51) PPARGACHE
SCHEMBL9337738 0.89 PPARG (0.56) PPARGACHE
SCHEMBL9337871 0.88 PPARG (0.50) PPARGACHE
SCHEMBL9336755 0.88 PPARG (0.58) PPARGACHE
SCHEMBL9339182 0.87 PPARG (0.49) PPARGACHE
SCHEMBL9340820 0.87 ACHE (0.49) PPARGACHE

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-5332750-A Treatment of hypertension, aldosteronism, cardiac insufficienc y MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1994-07-26 US disclosed