SCHEMBL6659951

SCHEMBL6659951

O=[N+]([O-])c1cc[n+]([O-])c(N2CCC(CCOc3ccc4c(c3)OCO4)CC2)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.40
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
TSHR P16473 1/20 0.40
MAPK1 P28482 1/20 0.40
CYP2C19 P33261 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
MGLL Q99685 2/20 0.40
FAAH O00519 1/20 0.40
MAOB P27338 5/20 0.38
MAOA P21397 2/20 0.36
DRD2 P14416 1/20 0.36
DRD3 P35462 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
FKBP1A P62942 1/20 0.36

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
SCHEMBL6657442 0.86 MAOB (0.42) MAPTKMT2AMEN1MAPK1MAOB
SCHEMBL6657970 0.83 ACHE (0.39) MAPTKMT2AMEN1CYP1A2CYP3A4
SCHEMBL6657367 0.83 HTR6 (0.42) KMT2AMEN1
SCHEMBL6660658 0.82 CHRNB4 (0.43) MAPTKMT2AMEN1CYP1A2CYP3A4
SCHEMBL6658483 0.82 MAPT (0.45) MAPTKMT2AMEN1MAPK1TDP1
SCHEMBL6658785 0.81 CHRNB4 (0.44) FAAHCHRNB4CHRNA3
SCHEMBL6660137 0.80 CYP2D6 (0.42) MAPTCYP2D6MAPK1NPC1RAB9A
SCHEMBL6661589 0.80 LTA4H (0.41) MAPTKMT2AMEN1FAAHDRD2
SCHEMBL6657190 0.79 KCNH2 (0.42) MAPTKMT2AMEN1FAAHCHRNB4
SCHEMBL6657776 0.79 MAOB (0.48) KMT2AMEN1MAOBMAOACHRNB4

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-2004004715-A2 NOVEL DELTA OPIOID RECEPTOR LIGANDS GLAXOSMITHKLINE SPA (IT) 2004-01-15 WO disclosed