SCHEMBL9254593

SCHEMBL9254593

CCCc1c(Cc2ccc(-c3ccccc3C#N)cc2)c(O)nc2nc(C)nn12

nearest known ligand 0.47

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PPARG P37231 2/20 0.47
SLC33A1 O00400 13/20 0.43
AGTR1 P30556 1/20 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
SCHEMBL9256213 0.94 PPARG (0.43) PPARGSLC33A1AGTR1AGTR2
SCHEMBL9256665 0.91 PPARG (0.46) PPARGSLC33A1AGTR1AGTR2
SCHEMBL9256457 0.91 PPARG (0.46) PPARGSLC33A1AGTR1AGTR2
SCHEMBL9257368 0.89 PPARG (0.44) PPARGSLC33A1AGTR1AGTR2
SCHEMBL9256269 0.88 PPARG (0.44) PPARGSLC33A1AGTR1AGTR2
SCHEMBL7311768 0.86 PPARG (0.46) PPARGSLC33A1
SCHEMBL9258137 0.85 PPARG (0.45) PPARGSLC33A1
Hydrochloric Acid SCHEMBL9251001 0.84 PPARG (0.44) PPARGSLC33A1
Hydrochloric Acid SCHEMBL7322883 0.84 PPARG (0.44) PPARGSLC33A1
SCHEMBL9256614 0.84 SLC33A1 (0.34) 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