SCHEMBL13634502

SCHEMBL13634502

O=C(Nc1cccnc1C(=O)N[C@@H]1CCOC1)c1coc(N2CCC(Oc3ncccn3)CC2)n1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GPR6 P46095 1/20 0.44
GRM4 Q14833 1/20 0.40
IRAK4 Q9NWZ3 8/20 0.39
NAMPT P43490 2/20 0.39
PDE10A Q9Y233 1/20 0.38
POLB P06746 1/20 0.38
SMO Q99835 1/20 0.38
PDE4B Q07343 1/20 0.36
PDE4D Q08499 1/20 0.36
PAICS P22234 1/20 0.35
IRAK1 P51617 1/20 0.35
TYK2 P29597 1/20 0.35
HPGDS O60760 1/20 0.35
CNR1 P21554 1/20 0.35
CNR2 P34972 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
SCHEMBL13634821 1.00 GPR6 (0.44) GPR6GRM4IRAK4NAMPTPDE10A
SCHEMBL13634671 0.88 PDE10A (0.46) GPR6IRAK4NAMPTPDE10ASMO
SCHEMBL13634792 0.88 PDE10A (0.46) GPR6IRAK4NAMPTPDE10ASMO
SCHEMBL13634601 0.83 MCHR1 (0.43) GPR6IRAK4
SCHEMBL13634793 0.82 SCD (0.40) GPR6PAICSCNR1CNR2
SCHEMBL13634630 0.80 GPR6 (0.40) GPR6GRM4IRAK4NAMPTSMO
SCHEMBL13634631 0.80 GPR6 (0.40) GPR6GRM4IRAK4NAMPTSMO
SCHEMBL13634670 0.80 PARP1 (0.38) GPR6IRAK4PAICSTYK2
SCHEMBL13638812 0.78 GPR6 (0.39) GPR6IRAK4PAICSTYK2HPGDS
SCHEMBL13634835 0.77 PIM1 (0.42) GPR6PDE4BPDE4DPAICSTYK2

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