SCHEMBL9688601

SCHEMBL9688601

CCCCc1cc(O)c(Br)c(=O)n1Cc1ccc(-c2ccccc2C#N)cc1

nearest known ligand 0.55

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PPARG P37231 4/20 0.55
AGTR1 P30556 5/20 0.49
ACHE P22303 1/20 0.48
AGTR2 P50052 2/20 0.46
APLNR P35414 1/20 0.40

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
SCHEMBL9690193 0.85 PPARG (0.52) PPARGAGTR1ACHEAGTR2APLNR
SCHEMBL9530672 0.85 PPARG (0.58) PPARGAGTR1ACHEAGTR2
SCHEMBL9336755 0.84 PPARG (0.58) PPARGAGTR1ACHEAGTR2
SCHEMBL9690253 0.83 AGTR1 (0.49) PPARGAGTR1ACHEAGTR2APLNR
SCHEMBL9337738 0.83 PPARG (0.56) PPARGAGTR1ACHEAGTR2
SCHEMBL9337685 0.81 PPARG (0.53) PPARGACHE
SCHEMBL9337063 0.80 PPARG (0.52) PPARGACHE
SCHEMBL9337129 0.80 PPARG (0.53) PPARGAGTR1ACHEAGTR2
SCHEMBL9339313 0.80 AGTR1 (0.53) PPARGAGTR1ACHEAGTR2
SCHEMBL9337403 0.79 PPARG (0.53) PPARGACHE

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
EP-0500297-A1 Substituted pyridinones and pyrimidinones as angiotensin II antagonists FISONS plc (GB) 1992-08-26 EP disclosed