SCHEMBL9309795

SCHEMBL9309795

CCCCc1nc(Cl)c(C=O)n1Cc1ccc(Br)c(-c2occ3ccccc23)c1C#N

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 6/20 0.41
AGTR2 P50052 5/20 0.41
GP6 Q9HCN6 1/20 0.40
PDE4A P27815 1/20 0.33
PDE4B Q07343 1/20 0.33
PDE4C Q08493 1/20 0.33
PDE4D Q08499 1/20 0.33
TLR7 Q9NYK1 1/20 0.33

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
SCHEMBL9309787 0.83 AGTR1 (0.42) AGTR1AGTR2GP6
SCHEMBL9309317 0.79 AGTR1 (0.48) AGTR1AGTR2GP6
SCHEMBL28517096 0.70 AGTR1 (0.56) AGTR1AGTR2GP6
SCHEMBL965839 0.69 AGTR1 (0.67) AGTR1AGTR2GP6PDE4APDE4B
SCHEMBL28517015 0.69 AGTR1 (0.54) AGTR1AGTR2GP6
SCHEMBL4639444 0.67 AGTR1 (0.59) AGTR1AGTR2GP6
SCHEMBL9309634 0.67 AGTR1 (0.52) AGTR1AGTR2GP6
SCHEMBL28515127 0.67 AGTR1 (0.52) AGTR1AGTR2GP6
SCHEMBL9309309 0.67 AGTR1 (0.49) AGTR1AGTR2GP6TLR7
SCHEMBL9309628 0.67 AGTR1 (0.56) AGTR1AGTR2GP6

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
US-5374646-A Treatment or prophylasix of hypertension and diseases associated with cognitive disorders GLAXO GROUP LIMITED (GB) 1994-12-20 US disclosed