SCHEMBL9533788

SCHEMBL9533788

CCCCc1cc(O)cc(=O)n1Cc1ccccc1-c1ccccc1C#N

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.40
GPR84 Q9NQS5 1/20 0.40
DPP4 P27487 2/20 0.39
NOX4 Q9NPH5 1/20 0.39
GRIN1 Q05586 4/20 0.38
GRIN2B Q13224 4/20 0.38
ACHE P22303 1/20 0.37
APLNR P35414 3/20 0.36
AGTR1 P30556 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
SCHEMBL9530672 0.85 PPARG (0.58) PPARGACHEAGTR1
SCHEMBL9533790 0.83 MEN1 (0.42) GPR84AGTR1
SCHEMBL9414243 0.83 DPP4 (0.45) PPARGDPP4GRIN1GRIN2BACHE
SCHEMBL9414287 0.80 PPARG (0.44) PPARGDPP4GRIN1GRIN2B
SCHEMBL9690775 0.79 PPARG (0.66) PPARGACHEAGTR1
SCHEMBL9531553 0.78 PPARG (0.45) PPARGGPR84ACHEAGTR1
SCHEMBL9414278 0.76 DPP4 (0.46) PPARGDPP4GRIN1GRIN2B
SCHEMBL9414218 0.76 PPARG (0.51) PPARGDPP4
SCHEMBL9414213 0.75 DPP4 (0.48) PPARGDPP4GRIN1GRIN2B
SCHEMBL9414221 0.74 DPP4 (0.43) PPARGDPP4GRIN1GRIN2B

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
EP-0572455-A1 SUBSTITUTED PYRIDINONES AND PYRIMIDINONES AS ANGIOTENSIN II ANTAGONISTS Astra Pharmaceuticals Limited (GB) 1993-12-08 EP disclosed
WO-1992014714-A1 SUBSTITUTED PYRIDINONES AND PYRIMIDINONES AS ANGIOTENSIN II ANTAGONISTS FISONS PLC (GB) 1992-09-03 WO disclosed