SCHEMBL9256622

SCHEMBL9256622

CCCc1c(Cc2ccc(-c3sccc3C#N)cc2)c(O)nc2ncnn12

nearest known ligand 0.37

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MBOAT4 Q96T53 10/20 0.37
ENPP1 P22413 4/20 0.34
SLC33A1 O00400 4/20 0.33
HTT P42858 1/20 0.32

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
SCHEMBL9256614 0.86 SLC33A1 (0.34) SLC33A1
SCHEMBL7311768 0.84 PPARG (0.46) ENPP1SLC33A1
SCHEMBL9256542 0.83 ENPP1 (0.36) MBOAT4ENPP1SLC33A1
SCHEMBL9254265 0.83 MBOAT4 (0.35) MBOAT4ENPP1SLC33A1HTT
SCHEMBL9254410 0.82 MBOAT4 (0.35) MBOAT4ENPP1SLC33A1HTT
Diethylamine SCHEMBL9256272 0.81 PPARG (0.44) ENPP1SLC33A1
SCHEMBL9257114 0.80 SLC33A1 (0.34) ENPP1SLC33A1
SCHEMBL9256663 0.79 PPARG (0.43) SLC33A1
SCHEMBL9253827 0.76 PPARG (0.41) MBOAT4ENPP1SLC33A1HTT
SCHEMBL9308253 0.75 PPARG (0.31)

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