SCHEMBL8801650

SCHEMBL8801650

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

nearest known ligand 0.47

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 4/20 0.47
AGTR2 P50052 2/20 0.47
ACHE P22303 1/20 0.45
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
SCHEMBL8803217 0.91 AGTR1 (0.51) AGTR1AGTR2
SCHEMBL9267973 0.83 AGTR1 (0.40) AGTR1AGTR2
SCHEMBL8802261 0.83 AGTR1 (0.48) AGTR1AGTR2ACHELTB4R2
SCHEMBL8667932 0.83 ACHE (0.46) AGTR1AGTR2ACHELTB4R2
SCHEMBL8667909 0.77 ACHE (0.49) AGTR1AGTR2ACHELTB4R2
SCHEMBL8801638 0.77 AGTR1 (0.49) AGTR1AGTR2ACHELTB4R2
SCHEMBL8979872 0.74 AGTR1 (0.49) AGTR1AGTR2ACHELTB4R2
SCHEMBL8979758 0.74 AGTR1 (0.49) AGTR1AGTR2ACHELTB4R2
SCHEMBL8673614 0.74 AGTR1 (0.43) AGTR1AGTR2ACHELTB4R2
SCHEMBL9136676 0.74 AGTR1 (0.49) AGTR1AGTR2ACHELTB4R2

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