SCHEMBL846182

SCHEMBL846182

O=C(Nc1ccc2ccccc2n1)c1ccc(NC2CCOCC2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 8/20 0.59
RAB9A P51151 7/20 0.59
TRPV1 Q8NER1 1/20 0.52
MTOR P42345 1/20 0.48
ADORA3 P0DMS8 1/20 0.47
ADORA2A P29274 1/20 0.47
ADORA2B P29275 1/20 0.47
ADORA1 P30542 1/20 0.47
KMT2A Q03164 1/20 0.45
MAPT P10636 1/20 0.45
NAMPT P43490 1/20 0.43
FLT3 P36888 2/20 0.43
NTRK1 P04629 1/20 0.43
NTRK3 Q16288 1/20 0.43
NTRK2 Q16620 1/20 0.43
PDE10A Q9Y233 1/20 0.42
CNR2 P34972 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
KIT P10721 1/20 0.42
CYP3A4 P08684 1/20 0.41

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
SCHEMBL845931 0.80 TRPV1 (0.80) NPC1RAB9ATRPV1MAPT
SCHEMBL30824493 0.79 PDE10A (0.59) NPC1RAB9APDE10A
SCHEMBL6257291 0.76 NPC1 (1.00) NPC1RAB9AMTORADORA3ADORA2A
SCHEMBL12204397 0.75 NPC1 (1.00) NPC1RAB9AMTORADORA3ADORA2A
SCHEMBL5091480 0.73 NPC1 (0.77) NPC1RAB9AMTORADORA3ADORA2A
SCHEMBL15931641 0.73 NPC1 (1.00) NPC1RAB9AMTORADORA3ADORA2A
SCHEMBL860630 0.72 NPC1 (0.54) NPC1RAB9AMTORADORA3ADORA2A
SCHEMBL19616650 0.71 NPC1 (0.74) NPC1RAB9AMTORADORA3ADORA2A
SCHEMBL4433745 0.71 NPC1 (0.73) NPC1RAB9AMTORADORA3ADORA2A
SCHEMBL31725147 0.71 NPC1 (0.74) NPC1RAB9AMTORADORA3ADORA2A

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
EP-1603883-B1 QUINOLINE-DERIVED AMIDE MODULATORS OF VANILLOID VR1 RECEPTOR JANSSEN PHARMACEUTICA NV (BE) 2012-03-28 EP claimed