SCHEMBL9690253

SCHEMBL9690253

CCCCc1c(Br)c(O)c(Br)c(=O)n1Cc1ccc(-c2ccccc2C#N)cc1

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 6/20 0.49
ACHE P22303 1/20 0.49
PPARG P37231 2/20 0.48
AGTR2 P50052 3/20 0.41
APLNR P35414 1/20 0.41
GRIA2 P42262 1/20 0.40
GRIA4 P48058 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
SCHEMBL9688601 0.83 PPARG (0.55) AGTR1ACHEPPARGAGTR2APLNR
SCHEMBL1894638 0.80 PPARG (0.56) AGTR1ACHEPPARG
SCHEMBL1891211 0.79 PPARG (0.56) AGTR1ACHEPPARGAGTR2
SCHEMBL9531993 0.79 AGTR1 (0.47) AGTR1AGTR2
SCHEMBL9337738 0.77 PPARG (0.56) AGTR1ACHEPPARGAGTR2
SCHEMBL9843820 0.77 PPARG (0.57) AGTR1ACHEPPARGAPLNR
SCHEMBL9336755 0.76 PPARG (0.58) AGTR1ACHEPPARGAGTR2
SCHEMBL1896843 0.76 PPARG (0.52) AGTR1ACHEPPARGAGTR2
SCHEMBL9530672 0.76 PPARG (0.58) AGTR1ACHEPPARGAGTR2
SCHEMBL9337685 0.76 PPARG (0.53) ACHEPPARG

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