SCHEMBL9339293

SCHEMBL9339293

CCCCc1cccc(=O)n1Cc1ccc(COc2ccccc2C#N)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
FFAR1 O14842 1/20 0.38
FFAR4 Q5NUL3 1/20 0.38
PPARG P37231 2/20 0.37
ALDH1A1 P00352 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
ACHE P22303 1/20 0.36
FNTA P49354 1/20 0.36
FNTB P49356 1/20 0.36
PGGT1B P53609 1/20 0.36
APLNR P35414 1/20 0.35
PDE4A P27815 1/20 0.35
PDE4B Q07343 1/20 0.35
PDE4C Q08493 1/20 0.35
PDE4D Q08499 1/20 0.35
HTT P42858 1/20 0.35
HSD17B10 Q99714 1/20 0.35
PTGER1 P34995 1/20 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
SCHEMBL9341437 0.84 FFAR1 (0.49) FFAR1
SCHEMBL9337497 0.82 PPARG (0.56) PPARGACHEAPLNR
SCHEMBL9337200 0.80 TSHR (0.43) HSD17B10
SCHEMBL9337412 0.79 PPARG (0.55) PPARGACHEAPLNR
SCHEMBL9339133 0.76 TSHR (0.47) L3MBTL1ALDH1A1NPC1RAB9A
SCHEMBL9340928 0.76 AGTR1 (0.43)
SCHEMBL9336977 0.76 ESR1 (0.42) ALDH1A1ACHEPDE4APDE4BPDE4C
SCHEMBL9337404 0.75 PPARG (0.64) PPARGACHE
SCHEMBL8089294 0.74 AGTR2 (0.57) PPARGPDE4APDE4BPDE4CPDE4D
SCHEMBL9337539 0.73 PDE4A (0.39) PDE4APDE4BPDE4CPDE4DPTGER1

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-5332750-A Treatment of hypertension, aldosteronism, cardiac insufficienc y MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1994-07-26 US disclosed
EP-0530702-A1 1,2-dihydro-2-oxopyridines as angiotensin II antagonists MERCK PATENT GmbH (DE) 1993-03-10 EP disclosed