SCHEMBL9256665

SCHEMBL9256665

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

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PPARG P37231 2/20 0.46
AGTR1 P30556 2/20 0.38
AGTR2 P50052 2/20 0.38
ESR2 Q92731 1/20 0.37
GRIA2 P42262 1/20 0.36
GRIA4 P48058 1/20 0.36
APLNR P35414 1/20 0.36
ACHE P22303 1/20 0.35
SLC33A1 O00400 6/20 0.35

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
SCHEMBL9254593 0.91 PPARG (0.47) PPARGAGTR1AGTR2SLC33A1
SCHEMBL9256457 0.89 PPARG (0.46) PPARGAGTR1AGTR2ESR2GRIA2
SCHEMBL9257368 0.87 PPARG (0.44) PPARGAGTR1AGTR2ESR2APLNR
SCHEMBL9256269 0.86 PPARG (0.44) PPARGAGTR1AGTR2ESR2APLNR
SCHEMBL9256213 0.85 PPARG (0.43) PPARGAGTR1AGTR2APLNRACHE
SCHEMBL9253637 0.85 PPARG (0.43) PPARGAGTR1AGTR2ESR2
SCHEMBL7311768 0.84 PPARG (0.46) PPARGSLC33A1
SCHEMBL9260088 0.81 PPARG (0.47) PPARGAGTR1AGTR2ESR2APLNR
SCHEMBL7315124 0.81 PPARG (0.47) PPARGAGTR1AGTR2ESR2GRIA2
Diethylamine SCHEMBL9256272 0.81 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 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