SCHEMBL8801302

SCHEMBL8801302

CCCc1nc2n(c(=O)c1Cc1ccc(-c3ccccc3-c3nnnn3C(c3ccccc3)(c3ccccc3)c3ccccc3)cc1)C(C)C(=O)N2

nearest known ligand 0.49

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 2/20 0.49
AGTR2 P50052 1/20 0.49
AGT P01019 2/20 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
SCHEMBL8801196 0.95 AGTR1 (0.46) AGTR1AGTR2AGT
SCHEMBL8801132 0.88 AGTR1 (0.48) AGTR1AGTR2AGT
SCHEMBL8801633 0.87 AGTR1 (0.46) AGTR1AGTR2AGT
SCHEMBL8802225 0.86 AGTR1 (0.46) AGTR1AGTR2AGT
SCHEMBL8802507 0.85 AGTR1 (0.46) AGTR1AGTR2AGT
SCHEMBL8801640 0.85 AGTR1 (0.46) AGTR1AGTR2AGT
SCHEMBL8801076 0.81 AGTR1 (0.42) AGTR1
SCHEMBL8801125 0.81 AGTR1 (0.47) AGTR1AGTR2AGT
SCHEMBL8802257 0.79 AGTR1 (0.46) AGTR1AGTR2AGT
SCHEMBL8801542 0.79 AGTR1 (0.48) AGTR1AGTR2AGT

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