SCHEMBL7313334

SCHEMBL7313334

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

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PPARG P37231 2/20 0.44
SLC33A1 O00400 7/20 0.39
ENPP1 P22413 2/20 0.39
MBOAT4 Q96T53 1/20 0.38
ESR2 Q92731 1/20 0.38
GABRA1 P14867 1/20 0.37
GABRG2 P18507 1/20 0.37
GABRB3 P28472 1/20 0.37
GABRA2 P47869 1/20 0.37

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
Diethylamine SCHEMBL9256428 0.96 PPARG (0.42) PPARGSLC33A1ENPP1MBOAT4
SCHEMBL9254113 0.92 PPARG (0.39) PPARGSLC33A1ENPP1MBOAT4ESR2
SCHEMBL9250470 0.90 SLC33A1 (0.45) PPARGSLC33A1ENPP1
SCHEMBL9254787 0.89 PPARG (0.46) PPARGSLC33A1ENPP1MBOAT4GABRA1
SCHEMBL9253643 0.89 PPARG (0.44) PPARGSLC33A1ENPP1MBOAT4GABRA1
SCHEMBL9250123 0.88 ESR2 (0.39) PPARGSLC33A1ENPP1MBOAT4ESR2
SCHEMBL9249469 0.86 ENPP1 (0.47) ENPP1MBOAT4GABRA1GABRG2GABRB3
SCHEMBL9249571 0.86 PPARG (0.42) PPARGSLC33A1ENPP1MBOAT4GABRA1
SCHEMBL9258137 0.86 PPARG (0.45) PPARGSLC33A1
Hydrochloric Acid SCHEMBL7322883 0.85 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 2 patents. 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
US-5231094-A Cardiovascular disorders SOCIETE ANONYME: LABORATOIRES UPSA (FR) 1993-07-27 US disclosed