SCHEMBL9871897

SCHEMBL9871897

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

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 8/20 0.41
AGTR2 P50052 7/20 0.41
PDE10A Q9Y233 1/20 0.39
GALR3 O60755 1/20 0.36
NR2F2 P24468 1/20 0.36
RAB9A P51151 1/20 0.36
GP6 Q9HCN6 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
SCHEMBL9871600 0.92 AGTR1 (0.38) AGTR1AGTR2PDE10A
SCHEMBL9871103 0.87 AGTR1 (0.42) AGTR1AGTR2PDE10ATLR7
SCHEMBL9873834 0.87 AGTR1 (0.35) AGTR1AGTR2GP6
SCHEMBL9874500 0.85 AGTR1 (0.38) AGTR1AGTR2GP6
SCHEMBL9873895 0.84 AGTR1 (0.40) AGTR1AGTR2PDE10A
SCHEMBL9871966 0.84 AGTR1 (0.40) AGTR1AGTR2PDE10ATLR7
SCHEMBL9873841 0.84 AGTR1 (0.42) AGTR1AGTR2
SCHEMBL9872663 0.84 AGTR1 (0.53) AGTR1AGTR2GP6
SCHEMBL9873359 0.84 AGTR2 (0.39) AGTR1AGTR2PDE10ATLR7
SCHEMBL9872890 0.84 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