SCHEMBL8668604

SCHEMBL8668604

CCCc1nc(NC(=O)CBr)[nH]c(=O)c1Cc1ccc(-c2ccccc2C(=O)OC)cc1

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
BRS3 P32247 1/20 0.43
BDKRB1 P46663 5/20 0.41
AGTR1 P30556 1/20 0.41
AGTR2 P50052 1/20 0.41
SLC6A3 Q01959 1/20 0.40
ALDH1A1 P00352 1/20 0.39
ACHE P22303 1/20 0.39
LTB4R2 Q9NPC1 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
SCHEMBL9203248 0.90 ALDH1A1 (0.38) BRS3ALDH1A1
SCHEMBL8672154 0.86 ACHE (0.47) BRS3BDKRB1AGTR1AGTR2ACHE
SCHEMBL8668602 0.86 BDKRB1 (0.43) BRS3BDKRB1AGTR1AGTR2SLC6A3
SCHEMBL8979907 0.84 AGTR1 (0.46) BRS3AGTR1AGTR2ACHELTB4R2
SCHEMBL8671895 0.83 AGTR1 (0.46) BRS3AGTR1AGTR2ACHELTB4R2
SCHEMBL8979778 0.83 AGTR1 (0.45) BRS3BDKRB1AGTR1AGTR2ACHE
SCHEMBL8979838 0.82 AGTR1 (0.44) BRS3AGTR1AGTR2ACHELTB4R2
SCHEMBL8979794 0.80 AGTR1 (0.46) BRS3AGTR1AGTR2ACHELTB4R2
SCHEMBL8673071 0.80 BRS3 (0.42) BRS3AGTR1AGTR2ACHELTB4R2
SCHEMBL8979890 0.80 AGTR1 (0.45) BRS3AGTR1AGTR2ACHELTB4R2

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