SCHEMBL9339237

SCHEMBL9339237

CCCCNC(=O)Nc1ccc(CCCC)n(Cc2ccc(-c3ccccc3C#N)cc2)c1=O

nearest known ligand 0.53

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PPARG P37231 2/20 0.46
ACHE P22303 1/20 0.44
AGTR1 P30556 1/20 0.41

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 0.92 ACHE (0.47) PPARGACHE
SCHEMBL9340918 0.90 PPARG (0.46) PPARGACHEAGTR1
SCHEMBL9337252 0.89 PPARG (0.48) PPARGACHEAGTR1
SCHEMBL9341400 0.87 PPARG (0.50) PPARGACHEAGTR1
SCHEMBL9341198 0.87 ACHE (0.47) PPARGACHE
SCHEMBL9337565 0.87 PPARG (0.46) PPARGACHEAGTR1
SCHEMBL9337279 0.87 PPARG (0.46) PPARGACHE
SCHEMBL9337392 0.85 PPARG (0.45) PPARGACHEAGTR1
SCHEMBL9341332 0.83 ACHE (0.49) PPARGACHEAGTR1
SCHEMBL9336987 0.82 ACHE (0.46) 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