SCHEMBL7216134

SCHEMBL7216134

Cc1c(-n2ccnc2NC(C)c2ccc(Cl)cc2)ccc2ccccc12

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ATP1A1 P05023 7/20 0.48
ATP1B1 P05026 7/20 0.48
ATP1A3 P13637 7/20 0.48
ATP1B2 P14415 7/20 0.48
ATP1A2 P50993 7/20 0.48
ATP1B3 P54709 7/20 0.48
FXYD2 P54710 7/20 0.48
ATP1A4 Q13733 7/20 0.48
PDE1C Q14123 7/20 0.40
OPRD1 P41143 1/20 0.37
OPRK1 P41145 1/20 0.37
JAK2 O60674 1/20 0.35
JAK3 P52333 1/20 0.35
PDE1B Q01064 1/20 0.35
PDE9A O76083 1/20 0.35
P2RX3 P56373 1/20 0.34

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
SCHEMBL7217985 0.89 ATP1A1 (0.48) ATP1A1ATP1B1ATP1A3ATP1B2ATP1A2
SCHEMBL7221629 0.86 ATP1A1 (0.51) ATP1A1ATP1B1ATP1A3ATP1B2ATP1A2
SCHEMBL7215522 0.85 SOS1 (0.37) ATP1A1ATP1B1ATP1A3ATP1B2ATP1A2
SCHEMBL7222405 0.80 SMN1; SMN2 (0.46) OPRD1OPRK1
SCHEMBL7215726 0.77 OPRD1 (0.37) ATP1A1ATP1B1ATP1A3ATP1B2ATP1A2
SCHEMBL7222468 0.75 OPRD1 (0.39) ATP1A1ATP1B1ATP1A3ATP1B2ATP1A2
SCHEMBL7216328 0.74 GPR39 (0.43) OPRD1OPRK1PDE9A
SCHEMBL7215976 0.69 GAA (0.44) OPRD1OPRK1
SCHEMBL7216137 0.67 PDE9A (0.37) ATP1A1ATP1B1ATP1A3ATP1B2ATP1A2
SCHEMBL7217993 0.65 ATP1A1 (1.00) 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