SCHEMBL8801575

SCHEMBL8801575

CCCCc1[nH]c(NC(=O)CCl)nc(=O)c1Cc1ccc(-c2ccccc2C(=O)OC)cc1

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 3/20 0.47
ACHE P22303 1/20 0.47
AGTR2 P50052 1/20 0.47
BDKRB1 P46663 3/20 0.44
LTB4R2 Q9NPC1 1/20 0.41
BRS3 P32247 1/20 0.40

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
SCHEMBL9202373 0.90 ACHE (0.39) AGTR1ACHEAGTR2BDKRB1LTB4R2
SCHEMBL8979775 0.88 AGTR1 (0.45) AGTR1ACHEAGTR2BDKRB1LTB4R2
SCHEMBL8979827 0.88 AGTR1 (0.44) AGTR1ACHEAGTR2BDKRB1LTB4R2
SCHEMBL8802179 0.87 AGTR1 (0.46) AGTR1ACHEAGTR2BDKRB1LTB4R2
SCHEMBL8672154 0.87 ACHE (0.47) AGTR1ACHEAGTR2BDKRB1BRS3
SCHEMBL8668602 0.86 BDKRB1 (0.43) AGTR1ACHEAGTR2BDKRB1LTB4R2
SCHEMBL8979791 0.86 AGTR1 (0.46) AGTR1ACHEAGTR2BDKRB1LTB4R2
SCHEMBL8979758 0.85 AGTR1 (0.49) AGTR1ACHEAGTR2BDKRB1LTB4R2
SCHEMBL8979872 0.85 AGTR1 (0.49) AGTR1ACHEAGTR2BDKRB1LTB4R2
SCHEMBL8979887 0.85 AGTR1 (0.45) AGTR1ACHEAGTR2BDKRB1LTB4R2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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