SCHEMBL9873359

SCHEMBL9873359

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

nearest known ligand 0.44

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
AGTR2 P50052 6/20 0.39
AGTR1 P30556 5/20 0.39
PDE10A Q9Y233 2/20 0.37
TLR7 Q9NYK1 1/20 0.36

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
SCHEMBL9874580 0.92 AGTR2 (0.37) AGTR2AGTR1TLR7
SCHEMBL9874034 0.87 AGTR2 (0.37) AGTR2AGTR1
SCHEMBL9873127 0.86 AGTR2 (0.38) AGTR2AGTR1
SCHEMBL9871103 0.85 AGTR1 (0.42) AGTR2AGTR1PDE10ATLR7
SCHEMBL9872519 0.85 AGTR1 (0.51) AGTR2AGTR1TLR7
SCHEMBL9871897 0.84 AGTR1 (0.41) AGTR2AGTR1PDE10ATLR7
SCHEMBL9872716 0.84 AGTR2 (0.34) AGTR2AGTR1
SCHEMBL9871966 0.83 AGTR1 (0.40) AGTR2AGTR1PDE10ATLR7
SCHEMBL9873895 0.83 AGTR1 (0.40) AGTR2AGTR1PDE10A
SCHEMBL9873841 0.83 AGTR1 (0.42) 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