SCHEMBL7217993

SCHEMBL7217993

CC(Nc1ncc(-c2ccccc2)n1C)c1ccc(Cl)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ATP1A1 P05023 13/20 1.00
ATP1B1 P05026 13/20 1.00
ATP1A3 P13637 13/20 1.00
ATP1B2 P14415 13/20 1.00
ATP1A2 P50993 13/20 1.00
ATP1B3 P54709 13/20 1.00
FXYD2 P54710 13/20 1.00
ATP1A4 Q13733 13/20 1.00
GAA P10253 3/20 0.49
PDE1C Q14123 1/20 0.45
TP53 P04637 2/20 0.44
USP2 O75604 1/20 0.44
MAPK1 P28482 1/20 0.44
MAPT P10636 1/20 0.44
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43

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
SCHEMBL7221613 0.87 ATP1A1 (1.00) ATP1A1ATP1B1ATP1A3ATP1B2ATP1A2
SCHEMBL7215986 0.84 ATP1A1 (1.00) ATP1A1ATP1B1ATP1A3ATP1B2ATP1A2
SCHEMBL7216242 0.83 ATP1A1 (0.70) ATP1A1ATP1B1ATP1A3ATP1B2ATP1A2
SCHEMBL7216645 0.75 GAA (0.82) ATP1A1ATP1B1ATP1A3ATP1B2ATP1A2
SCHEMBL7216362 0.72 ATP1A1 (0.72) ATP1A1ATP1B1ATP1A3ATP1B2ATP1A2
SCHEMBL7218018 0.71 ATP1A1 (0.78) ATP1A1ATP1B1ATP1A3ATP1B2ATP1A2
SCHEMBL23762189 0.68 ATP1A1 (0.61) ATP1A1ATP1B1ATP1A3ATP1B2ATP1A2
SCHEMBL7222175 0.68 GAA (0.62) ATP1A1ATP1B1ATP1A3ATP1B2ATP1A2
SCHEMBL28676692 0.68 GAA (0.61) ATP1A1ATP1B1ATP1A3ATP1B2ATP1A2
SCHEMBL17560899 0.67 ATP1A1 (0.49) ATP1A1ATP1B1ATP1A3ATP1B2ATP1A2

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-6596739-B2 Anticarcinogenic agents, cardiovascular disorders and antiinflammatory agents THE PROCTER & GAMBLE COMPANY 2003-07-22 US claimed