SCHEMBL9277243

SCHEMBL9277243

CCCCc1c(Cc2ccc(-c3ccccc3)c(C(=O)O)c2)c(=O)nc2n1C(C)C(=O)N2

nearest known ligand 0.43

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AGTR2 P50052 5/20 0.40
AGTR1 P30556 4/20 0.40
BRS3 P32247 1/20 0.39

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
SCHEMBL9198308 0.92 ACHE (0.38) AGTR2AGTR1
SCHEMBL8671503 0.91 AGTR1 (0.50) AGTR2AGTR1
SCHEMBL9271129 0.87 AGTR2 (0.42) AGTR2AGTR1
SCHEMBL9271195 0.85 SLC33A1 (0.33)
SCHEMBL8667932 0.83 ACHE (0.46) AGTR2AGTR1
SCHEMBL9203184 0.82 AGTR2 (0.40) AGTR2AGTR1BRS3
SCHEMBL9267973 0.82 AGTR1 (0.40) AGTR2AGTR1
SCHEMBL9268044 0.79 SLC33A1 (0.33) AGTR1
SCHEMBL9199691 0.79 ACHE (0.39) AGTR2AGTR1
SCHEMBL8669405 0.79 ACHE (0.44) AGTR2AGTR1

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-0680480-A1 PYRIMIDINONE DERIVATIVES FUSED TO NITROGEN HETEROCYCLES HAVING A II ANTAGONISTIC ACTIVITY. LUSO FARMACO INST (IT) 1995-11-08 EP disclosed