SCHEMBL7215726

SCHEMBL7215726

CCC(Nc1nccn1-c1ccc2ccccc2c1C)c1ccc(Cl)cc1Cl

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 1/20 0.37
OPRK1 P41145 1/20 0.37
ATP1A1 P05023 1/20 0.37
ATP1B1 P05026 1/20 0.37
ATP1A3 P13637 1/20 0.37
ATP1B2 P14415 1/20 0.37
ATP1A2 P50993 1/20 0.37
ATP1B3 P54709 1/20 0.37
FXYD2 P54710 1/20 0.37
ATP1A4 Q13733 1/20 0.37
RAB9A P51151 3/20 0.36
KMT2A Q03164 3/20 0.36
IDO1 P14902 3/20 0.36
MEN1 O00255 2/20 0.36
HSP90AA1 P07900 2/20 0.35
MDM2 Q00987 1/20 0.35
TP53 P04637 2/20 0.33
LMNA P02545 1/20 0.33
NPC1 O15118 1/20 0.33
CYP27B1 O15528 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
SCHEMBL7215522 0.87 SOS1 (0.37) OPRD1OPRK1ATP1A1ATP1B1ATP1A3
SCHEMBL7221629 0.86 ATP1A1 (0.51) OPRD1OPRK1ATP1A1ATP1B1ATP1A3
SCHEMBL7216328 0.79 GPR39 (0.43) OPRD1OPRK1KMT2AMEN1TP53
SCHEMBL7222468 0.78 OPRD1 (0.39) OPRD1OPRK1ATP1A1ATP1B1ATP1A3
SCHEMBL7216134 0.77 ATP1A1 (0.48) OPRD1OPRK1ATP1A1ATP1B1ATP1A3
SCHEMBL7222405 0.74 SMN1; SMN2 (0.46) OPRD1OPRK1RAB9AKMT2ATP53
SCHEMBL7215731 0.71 KMT2A (0.35) RAB9AKMT2AIDO1MEN1LMNA
SCHEMBL7216362 0.70 ATP1A1 (0.72) ATP1A1ATP1B1ATP1A3ATP1B2ATP1A2
SCHEMBL7217985 0.68 ATP1A1 (0.48) OPRD1OPRK1ATP1A1ATP1B1ATP1A3
SCHEMBL7215736 0.67 ATP1A1 (0.36) 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