SCHEMBL13634676

SCHEMBL13634676

CCCNC(=O)c1cnccc1NC(=O)c1coc(N2CCC(Oc3ncccn3)CC2)n1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GPR6 P46095 9/20 0.42
CNR1 P21554 1/20 0.36
CNR2 P34972 1/20 0.36
PAICS P22234 1/20 0.36
SCD O00767 1/20 0.36
NAMPT P43490 1/20 0.36
PIM1 P11309 1/20 0.36
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
EPHX2 P34913 1/20 0.35
CYP2J2 P51589 1/20 0.35
PDE10A Q9Y233 1/20 0.35
SMO Q99835 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
SCHEMBL13634596 0.95 GPR6 (0.38) GPR6CNR1CNR2PAICSPIM1
SCHEMBL13634500 0.94 GPR6 (0.42) GPR6CNR1PAICSSCDPIM1
SCHEMBL13638871 0.90 TGFBR1 (0.36) GPR6CNR1CNR2PAICSPIM1
SCHEMBL13634512 0.90 SCD (0.39) GPR6CNR1CNR2PAICSSCD
SCHEMBL13634801 0.90 CNR1 (0.46) GPR6CNR1CNR2PAICSPIM1
SCHEMBL13634831 0.89 PDE10A (0.39) GPR6CNR1CNR2PAICSCYP2C9
SCHEMBL13634796 0.89 GPR6 (0.37) GPR6CNR1CNR2NAMPTPIM1
SCHEMBL13634580 0.88 GPR6 (0.36) GPR6PAICS
SCHEMBL13634511 0.88 NAMPT (0.37) GPR6PAICSNAMPT
SCHEMBL13634510 0.88 NAMPT (0.37) GPR6PAICSNAMPT

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