SCHEMBL8673441

SCHEMBL8673441

CCCCc1nc2n(c(=O)c1Cc1ccc(-c3ccccc3C(=O)O)cc1)C(C)C(=O)N2

nearest known ligand 0.62

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 2/20 0.53
AGTR2 P50052 2/20 0.53

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
SCHEMBL8677061 0.91 AGTR1 (0.47) AGTR1AGTR2
SCHEMBL9271129 0.90 AGTR2 (0.42) AGTR1AGTR2
SCHEMBL8671503 0.87 AGTR1 (0.50) AGTR1AGTR2
SCHEMBL8671133 0.85 ACHE (0.44) AGTR1
SCHEMBL9199691 0.84 ACHE (0.39) AGTR1AGTR2
SCHEMBL8801263 0.83
SCHEMBL8802893 0.82 AGTR1 (0.53) AGTR1AGTR2
SCHEMBL8801196 0.81 AGTR1 (0.46) AGTR1AGTR2
SCHEMBL9848910 0.80 AGTR1 (0.58) AGTR1AGTR2
SCHEMBL8667932 0.78 ACHE (0.46) AGTR1AGTR2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5804583-A Pyrimidinone derivatives fused to nitrogen heterocycles having a II antagonistic activity ISTITUTO LUSO FARMACO D'ITALIA (IT) 1998-09-08 US disclosed
EP-0680480-B1 PYRIMIDINONE DERIVATIVES FUSED TO NITROGEN HETEROCYCLES HAVING A II ANTAGONISTIC ACTIVITY LUSO FARMACO INST (IT) 1997-07-30 EP disclosed
WO-1994017067-A1 PYRIMIDINONE DERIVATIVES FUSED TO NITROGEN HETEROCYCLES HAVING A II ANTAGONISTIC ACTIVITY ISTITUTO LUSO FARMACO D'ITALIA S.P.A. (IT) 1994-08-04 WO disclosed