SCHEMBL8667932

SCHEMBL8667932

CCCCc1c(Cc2ccc(-c3ccccc3C(=O)OC)cc2)c(=O)nc2n1C(C)C(=O)N2

nearest known ligand 0.46

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.46
AGTR1 P30556 4/20 0.46
AGTR2 P50052 2/20 0.46
LTB4R2 Q9NPC1 1/20 0.41

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
SCHEMBL8671503 0.91 AGTR1 (0.50) AGTR1AGTR2
SCHEMBL9198308 0.90 ACHE (0.38) ACHEAGTR1AGTR2
SCHEMBL8677061 0.88 AGTR1 (0.47) ACHEAGTR1AGTR2
SCHEMBL9277243 0.83 AGTR2 (0.40) AGTR1AGTR2
SCHEMBL8667909 0.83 ACHE (0.49) ACHEAGTR1AGTR2LTB4R2
SCHEMBL8801650 0.83 AGTR1 (0.47) ACHEAGTR1AGTR2LTB4R2
SCHEMBL8669405 0.82 ACHE (0.44) ACHEAGTR1AGTR2
SCHEMBL9199691 0.78 ACHE (0.39) ACHEAGTR1AGTR2
SCHEMBL8673441 0.78 AGTR1 (0.53) AGTR1AGTR2
SCHEMBL8801638 0.78 AGTR1 (0.49) ACHEAGTR1AGTR2LTB4R2

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