SCHEMBL13634670

SCHEMBL13634670

CCc1ccc(C(=O)NC2CCOCC2)c(NC(=O)c2coc(N3CCC(Oc4ncccn4)CC3)n2)c1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.38
GPR6 P46095 1/20 0.38
TYK2 P29597 2/20 0.38
IRAK4 Q9NWZ3 7/20 0.37
MET P08581 1/20 0.36
GRM5 P41594 1/20 0.36
P2RX7 Q99572 1/20 0.35
PAICS P22234 1/20 0.35
PIM1 P11309 1/20 0.35
TTK P33981 1/20 0.35
MCHR1 Q99705 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
P2RX3 P56373 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
SCHEMBL13638812 0.93 GPR6 (0.39) GPR6TYK2IRAK4METGRM5
SCHEMBL13634610 0.84 POLB (0.42) MEN1KMT2A
SCHEMBL13634611 0.84 POLB (0.42) MEN1KMT2A
SCHEMBL13638815 0.84 MCHR1 (0.43) GPR6IRAK4MCHR1
SCHEMBL13634779 0.84 MCHR1 (0.43) GPR6IRAK4MCHR1
SCHEMBL13634601 0.83 MCHR1 (0.43) PARP1GPR6IRAK4MCHR1KMT2A
SCHEMBL13634792 0.81 PDE10A (0.46) GPR6IRAK4PAICSPIM1
SCHEMBL13634671 0.81 PDE10A (0.46) GPR6IRAK4PAICSPIM1
SCHEMBL13634551 0.81 IRAK4 (0.47) IRAK4P2RX7MCHR1
SCHEMBL13634502 0.80 GPR6 (0.44) GPR6TYK2IRAK4PAICS

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