SCHEMBL8669405

SCHEMBL8669405

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

nearest known ligand 0.44

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.44
AGTR1 P30556 2/20 0.40
PPARG P37231 2/20 0.39
AGTR2 P50052 1/20 0.38
SLC33A1 O00400 6/20 0.38
APLNR P35414 2/20 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
SCHEMBL8671133 0.86 ACHE (0.44) ACHEAGTR1PPARG
SCHEMBL8671503 0.84 AGTR1 (0.50) AGTR1AGTR2
SCHEMBL8801639 0.82 SLC33A1 (0.39) SLC33A1
SCHEMBL8667932 0.82 ACHE (0.46) ACHEAGTR1AGTR2
SCHEMBL9277243 0.79 AGTR2 (0.40) AGTR1AGTR2
SCHEMBL8802507 0.79 AGTR1 (0.46) AGTR1AGTR2SLC33A1
SCHEMBL8802232 0.77 SLC33A1 (0.39) AGTR1SLC33A1
SCHEMBL9198308 0.76 ACHE (0.38) ACHEAGTR1AGTR2
SCHEMBL9271195 0.76 SLC33A1 (0.33) SLC33A1
SCHEMBL8801326 0.74 ACHE (0.45) ACHEAGTR1PPARGAGTR2APLNR

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