SCHEMBL9249571

SCHEMBL9249571

CCCc1nc2ncnn2c(N(CC)CC)c1Cc1ccc(-c2ccccc2C#N)cc1

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PPARG P37231 2/20 0.42
ENPP1 P22413 7/20 0.40
SLC33A1 O00400 2/20 0.36
MBOAT4 Q96T53 1/20 0.36
GABRA1 P14867 1/20 0.36
GABRG2 P18507 1/20 0.36
GABRB3 P28472 1/20 0.36
GABRA2 P47869 1/20 0.36

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
SCHEMBL9250470 0.87 SLC33A1 (0.45) PPARGENPP1SLC33A1
SCHEMBL9253643 0.86 PPARG (0.44) PPARGENPP1SLC33A1MBOAT4GABRA1
SCHEMBL7313334 0.86 PPARG (0.44) PPARGENPP1SLC33A1MBOAT4GABRA1
SCHEMBL9254787 0.86 PPARG (0.46) PPARGENPP1SLC33A1MBOAT4GABRA1
SCHEMBL7316719 0.85 PPARG (0.43) PPARG
SCHEMBL9254223 0.84 PPARG (0.42) PPARGENPP1SLC33A1
Diethylamine SCHEMBL9256428 0.83 PPARG (0.42) PPARGENPP1SLC33A1MBOAT4
SCHEMBL9254595 0.81 SLC33A1 (0.39) SLC33A1
SCHEMBL9308857 0.81 PPARG (0.46) PPARG
SCHEMBL9251529 0.79 PPARG (0.44) PPARGENPP1SLC33A1MBOAT4

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