SCHEMBL8668602

SCHEMBL8668602

CCCc1[nH]c(NC(=O)CBr)nc(=O)c1Cc1ccc(-c2ccccc2C(=O)OC)cc1

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 8/20 0.43
BRS3 P32247 1/20 0.41
AGTR1 P30556 1/20 0.41
AGTR2 P50052 1/20 0.41
SLC6A3 Q01959 2/20 0.40
PPARG P37231 2/20 0.40
ACHE P22303 1/20 0.39
LTB4R2 Q9NPC1 1/20 0.39
SLC6A4 P31645 1/20 0.38

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
SCHEMBL9203240 0.90 PPARG (0.36) BDKRB1BRS3PPARG
SCHEMBL8801575 0.86 AGTR1 (0.47) BDKRB1BRS3AGTR1AGTR2ACHE
SCHEMBL8668604 0.86 BRS3 (0.43) BDKRB1BRS3AGTR1AGTR2SLC6A3
SCHEMBL8802179 0.83 AGTR1 (0.46) BDKRB1BRS3AGTR1AGTR2ACHE
SCHEMBL8979775 0.83 AGTR1 (0.45) BDKRB1BRS3AGTR1AGTR2ACHE
SCHEMBL8979827 0.82 AGTR1 (0.44) BDKRB1BRS3AGTR1AGTR2ACHE
SCHEMBL8979791 0.80 AGTR1 (0.46) BDKRB1BRS3AGTR1AGTR2ACHE
SCHEMBL8673066 0.80 BRS3 (0.40) BDKRB1BRS3AGTR1AGTR2PPARG
SCHEMBL8979887 0.80 AGTR1 (0.45) BDKRB1BRS3AGTR1AGTR2ACHE
SCHEMBL8979872 0.79 AGTR1 (0.49) BDKRB1BRS3AGTR1AGTR2ACHE

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