SCHEMBL9250489

SCHEMBL9250489

CCCc1c(Cc2ccc(-c3ccccc3C#N)cc2)c(NN)nc2ncnn12

nearest known ligand 0.43

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PPARG P37231 2/20 0.43
SLC33A1 O00400 12/20 0.42
ENPP1 P22413 2/20 0.40
MBOAT4 Q96T53 3/20 0.40

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
SCHEMBL9251529 0.90 PPARG (0.44) PPARGSLC33A1ENPP1MBOAT4
SCHEMBL9250470 0.89 SLC33A1 (0.45) PPARGSLC33A1ENPP1
SCHEMBL9250140 0.88 PPARG (0.45) PPARGSLC33A1ENPP1
SCHEMBL9252860 0.88 PPARG (0.44) PPARGSLC33A1ENPP1
SCHEMBL9253652 0.88 PPARG (0.46) PPARGSLC33A1ENPP1MBOAT4
SCHEMBL7311768 0.88 PPARG (0.46) PPARGSLC33A1ENPP1
Diethylamine SCHEMBL9256272 0.86 PPARG (0.44) PPARGSLC33A1ENPP1
SCHEMBL9254223 0.85 PPARG (0.42) PPARGSLC33A1ENPP1
SCHEMBL9247014 0.84 PPARG (0.41) PPARGSLC33A1
SCHEMBL9250049 0.84 PPARG (0.41) 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