SCHEMBL8801166

SCHEMBL8801166

CCCCc1c(Cc2ccc(-c3ccccc3-c3nnnn3C(c3ccccc3)(c3ccccc3)c3ccccc3)cc2)c(=O)nc2n1CC(=O)N2

nearest known ligand 0.48

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 2/20 0.48
AGTR2 P50052 1/20 0.48
AGT P01019 2/20 0.43

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
SCHEMBL9270321 0.93 AGTR1 (0.43) AGTR1AGTR2AGT
SCHEMBL8801182 0.93 AGTR1 (0.48) AGTR1AGTR2AGT
SCHEMBL8802014 0.89 AGTR1 (0.46) AGTR1AGTR2AGT
SCHEMBL8801542 0.89 AGTR1 (0.48) AGTR1AGTR2AGT
SCHEMBL8801784 0.86 AGTR1 (0.46) AGTR1AGTR2AGT
SCHEMBL8802507 0.84 AGTR1 (0.46) AGTR1AGTR2AGT
SCHEMBL8802257 0.84 AGTR1 (0.46) AGTR1AGTR2AGT
SCHEMBL8802490 0.83 AGTR1 (0.45) AGTR1AGTR2AGT
SCHEMBL8802492 0.83 AGTR1 (0.49) AGTR1AGTR2AGT
SCHEMBL9272146 0.83 AGTR1 (0.41) 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 2 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
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