SCHEMBL9337129

SCHEMBL9337129

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

nearest known ligand 0.60

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PPARG P37231 2/20 0.53
ACHE P22303 1/20 0.51
AGTR1 P30556 2/20 0.47
AGTR2 P50052 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
SCHEMBL9337738 0.90 PPARG (0.56) PPARGACHEAGTR1AGTR2
SCHEMBL9336755 0.89 PPARG (0.58) PPARGACHEAGTR1AGTR2
SCHEMBL9337491 0.88 PPARG (0.52) PPARGACHE
SCHEMBL9339238 0.87 PPARG (0.53) PPARGACHE
SCHEMBL9337685 0.87 PPARG (0.53) PPARGACHE
SCHEMBL9337403 0.87 PPARG (0.53) PPARGACHE
SCHEMBL9337841 0.86 PPARG (0.50) PPARGACHEAGTR1AGTR2
SCHEMBL9337063 0.86 PPARG (0.52) PPARGACHE
SCHEMBL9340726 0.86 PPARG (0.52) PPARGACHEAGTR1
SCHEMBL9339313 0.85 AGTR1 (0.53) PPARGACHEAGTR1AGTR2

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