SCHEMBL9871966

SCHEMBL9871966

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

nearest known ligand 0.41

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 8/20 0.40
AGTR2 P50052 8/20 0.40
PDE10A Q9Y233 1/20 0.35
TLR7 Q9NYK1 1/20 0.35

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
SCHEMBL9873762 0.92 AGTR1 (0.38) AGTR1AGTR2PDE10A
SCHEMBL9873445 0.87 AGTR1 (0.33) AGTR1AGTR2
SCHEMBL9871103 0.86 AGTR1 (0.42) AGTR1AGTR2PDE10ATLR7
SCHEMBL9872051 0.85 AGTR1 (0.38) AGTR1AGTR2
SCHEMBL9873623 0.85 AGTR1 (0.52) AGTR1AGTR2
SCHEMBL9871897 0.84 AGTR1 (0.41) AGTR1AGTR2PDE10ATLR7
SCHEMBL9873895 0.84 AGTR1 (0.40) AGTR1AGTR2PDE10A
SCHEMBL9873841 0.84 AGTR1 (0.42) AGTR1AGTR2
SCHEMBL9873359 0.83 AGTR2 (0.39) AGTR1AGTR2PDE10ATLR7
SCHEMBL9872890 0.83 AGTR1 (0.41) AGTR1AGTR2

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