SCHEMBL9874580

SCHEMBL9874580

Cc1nc2c(-c3ccccc3)nnc(O)c2n1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1

nearest known ligand 0.44

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AGTR2 P50052 5/20 0.37
AGTR1 P30556 5/20 0.37
TLR7 Q9NYK1 1/20 0.34

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
SCHEMBL9873359 0.92 AGTR2 (0.39) AGTR2AGTR1TLR7
SCHEMBL9873895 0.91 AGTR1 (0.40) AGTR2AGTR1
SCHEMBL9872716 0.91 AGTR2 (0.34) AGTR2AGTR1
SCHEMBL9871600 0.89 AGTR1 (0.38) AGTR2AGTR1
SCHEMBL9874661 0.88 AGTR2 (0.35) AGTR2
SCHEMBL9874151 0.88 AGTR1 (0.40) AGTR2AGTR1
SCHEMBL9873762 0.88 AGTR1 (0.38) AGTR2AGTR1
SCHEMBL9872000 0.87 AGTR1 (0.39) AGTR2AGTR1
SCHEMBL9874148 0.87 AGTR2 (0.36) AGTR2AGTR1
SCHEMBL9874401 0.86 AGTR1 (0.36) AGTR2AGTR1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1991019715-A1 1H-SUBSTITUTED-IMIDAZO[4,5-d]PYRIDAZINE COMPOUNDS FOR TREATMENT OF CARDIOVASCULAR DISORDERS G.D. SEARLE & CO. (US) 1991-12-26 WO disclosed