SCHEMBL13638812

SCHEMBL13638812

COCc1ccc(C(=O)NC2CCOCC2)c(NC(=O)c2coc(N3CCC(Oc4ncccn4)CC3)n2)c1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GPR6 P46095 3/20 0.39
TYK2 P29597 2/20 0.37
IRAK4 Q9NWZ3 6/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
MCHR1 Q99705 1/20 0.36
FLT3 P36888 1/20 0.35
MET P08581 1/20 0.35
HPGDS O60760 1/20 0.35
GRM5 P41594 1/20 0.35
PIM1 P11309 2/20 0.35
P2RX7 Q99572 1/20 0.35
PAICS P22234 1/20 0.35

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
SCHEMBL13634670 0.93 PARP1 (0.38) GPR6TYK2IRAK4MCHR1MET
SCHEMBL13638815 0.85 MCHR1 (0.43) GPR6IRAK4MCHR1
SCHEMBL13638986 0.85 KMT2A (0.42) NPC1RAB9A
SCHEMBL13638901 0.85 KMT2A (0.42) NPC1RAB9A
SCHEMBL13634779 0.84 MCHR1 (0.43) GPR6IRAK4MCHR1
SCHEMBL13634601 0.83 MCHR1 (0.43) GPR6IRAK4NPC1RAB9AMCHR1
SCHEMBL13634792 0.80 PDE10A (0.46) GPR6IRAK4PIM1PAICS
SCHEMBL13634671 0.80 PDE10A (0.46) GPR6IRAK4PIM1PAICS
SCHEMBL13634635 0.79 PIM1 (0.45) GPR6IRAK4PIM1
SCHEMBL13270419 0.79 F10 (0.40) IRAK4NPC1RAB9AMCHR1

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-8304547-B2 Azolecarboxamide compound or salt thereof ASTELLAS PHARMA INC. (JP) 2012-11-06 US disclosed