SCHEMBL9256663

SCHEMBL9256663

CCCCc1c(Cc2ccc(-c3ccccc3C#N)cc2)c(O)nc2ncnn12

nearest known ligand 0.43

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PPARG P37231 2/20 0.43
SLC33A1 O00400 10/20 0.42
APLNR P35414 3/20 0.41
ACHE P22303 1/20 0.40
AGTR1 P30556 2/20 0.39
AGTR2 P50052 1/20 0.39

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
SCHEMBL7311768 0.94 PPARG (0.46) PPARGSLC33A1
Diethylamine SCHEMBL9256272 0.91 PPARG (0.44) PPARGSLC33A1
SCHEMBL9253827 0.91 PPARG (0.41) PPARGSLC33A1APLNRAGTR1AGTR2
SCHEMBL9254569 0.89 ESR2 (0.40) PPARG
SCHEMBL9256213 0.86 PPARG (0.43) PPARGSLC33A1APLNRACHEAGTR1
SCHEMBL9254089 0.86 ESR2 (0.39) PPARGSLC33A1APLNR
SCHEMBL9253540 0.85 USP2 (0.42) PPARG
SCHEMBL9250470 0.84 SLC33A1 (0.45) PPARGSLC33A1
SCHEMBL9253652 0.83 PPARG (0.46) PPARGSLC33A1ACHE
SCHEMBL9251529 0.83 PPARG (0.44) PPARGSLC33A1

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-5387747-A Used in the treatment and prevention of cardiovascular diseases: hypertension, cardiac insufficiency and atherosclerosis LABORATOIRES UPSA (FR) 1995-02-07 US disclosed