SCHEMBL8672154

SCHEMBL8672154

CCCCc1nc(NC(=O)CCl)[nH]c(=O)c1Cc1ccc(-c2ccccc2C(=O)OC)cc1

nearest known ligand 0.59

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.47
AGTR1 P30556 1/20 0.47
AGTR2 P50052 1/20 0.47
BDKRB1 P46663 1/20 0.42
BRS3 P32247 1/20 0.42

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
SCHEMBL9202381 0.90 ACHE (0.39) ACHEAGTR1AGTR2
SCHEMBL8979907 0.90 AGTR1 (0.46) ACHEAGTR1AGTR2BRS3
SCHEMBL8979778 0.88 AGTR1 (0.45) ACHEAGTR1AGTR2BDKRB1BRS3
SCHEMBL8979838 0.88 AGTR1 (0.44) ACHEAGTR1AGTR2BRS3
SCHEMBL8671895 0.87 AGTR1 (0.46) ACHEAGTR1AGTR2BRS3
SCHEMBL8801575 0.87 AGTR1 (0.47) ACHEAGTR1AGTR2BDKRB1BRS3
SCHEMBL8668604 0.86 BRS3 (0.43) ACHEAGTR1AGTR2BDKRB1BRS3
SCHEMBL8979794 0.86 AGTR1 (0.46) ACHEAGTR1AGTR2BRS3
SCHEMBL8979760 0.85 AGTR1 (0.49) ACHEAGTR1AGTR2BRS3
SCHEMBL8979880 0.85 AGTR1 (0.49) ACHEAGTR1AGTR2BRS3

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