SCHEMBL8801432

SCHEMBL8801432

CCCCc1[nH]c(NC(=O)C(C)Br)nc(=O)c1Cc1ccc(-c2ccccc2C#N)cc1

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.39
AGTR1 P30556 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
AGTR2 P50052 1/20 0.37
APLNR P35414 2/20 0.36
PPARG P37231 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
BRS3 P32247 2/20 0.35

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
SCHEMBL9274128 0.91 SMN1; SMN2 (0.36) ACHEAGTR1SMN1; SMN2AGTR2BRS3
SCHEMBL8667923 0.87 ACHE (0.39) ACHEAGTR1AGTR2
SCHEMBL8802179 0.86 AGTR1 (0.46) ACHEAGTR1AGTR2BRS3
SCHEMBL9270036 0.80 AGTR1 (0.38) ACHEAGTR1AGTR2BRS3
SCHEMBL8801326 0.80 ACHE (0.45) ACHEAGTR1AGTR2APLNRPPARG
SCHEMBL9274134 0.78 GAA (0.36) L3MBTL1BRS3
SCHEMBL8979815 0.76 BRS3 (0.48) AGTR1AGTR2PPARGBRS3
SCHEMBL8979808 0.75 BRS3 (0.48) AGTR1AGTR2BRS3
SCHEMBL8979791 0.75 AGTR1 (0.46) ACHEAGTR1AGTR2APLNRBRS3
SCHEMBL8979813 0.75 ACHE (0.46) ACHEAGTR1AGTR2PPARG

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
EP-0680480-B1 PYRIMIDINONE DERIVATIVES FUSED TO NITROGEN HETEROCYCLES HAVING A II ANTAGONISTIC ACTIVITY LUSO FARMACO INST (IT) 1997-07-30 EP disclosed
EP-0680480-A1 PYRIMIDINONE DERIVATIVES FUSED TO NITROGEN HETEROCYCLES HAVING A II ANTAGONISTIC ACTIVITY. LUSO FARMACO INST (IT) 1995-11-08 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