SCHEMBL9340918

SCHEMBL9340918

CCCCc1ccc(NC(=O)Nc2ccccc2)c(=O)n1Cc1ccc(-c2ccccc2C#N)cc1

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PPARG P37231 2/20 0.46
ACHE P22303 1/20 0.44
KDM4E B2RXH2 1/20 0.43
GAA P10253 1/20 0.43
AGTR1 P30556 1/20 0.42
AGTR2 P50052 1/20 0.42
ITGB1 P05556 2/20 0.42
ITGA4 P13612 2/20 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
SCHEMBL9337468 0.90 ACHE (0.47) PPARGACHEKDM4E
SCHEMBL9339237 0.90 PPARG (0.46) PPARGACHEAGTR1
SCHEMBL9337252 0.89 PPARG (0.48) PPARGACHEAGTR1
SCHEMBL9337279 0.89 PPARG (0.46) PPARGACHE
SCHEMBL9336987 0.87 ACHE (0.46) PPARGACHE
SCHEMBL9337565 0.87 PPARG (0.46) PPARGACHEAGTR1
SCHEMBL9337392 0.85 PPARG (0.45) PPARGACHEAGTR1
SCHEMBL9340760 0.84 ACHE (0.49) PPARGACHEAGTR1
SCHEMBL9341400 0.84 PPARG (0.50) PPARGACHEAGTR1
SCHEMBL9341332 0.83 ACHE (0.49) PPARGACHEAGTR1

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