SCHEMBL13634618

SCHEMBL13634618

CCCNC(=O)c1cc(CN2CC(C)C2)ccc1NC(=O)c1csc(N2CCC(Oc3ncccn3)CC2)n1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GPR6 P46095 3/20 0.38
GLS O94925 1/20 0.38
MCHR1 Q99705 3/20 0.38
PARP1 P09874 2/20 0.37
TNK1 Q13470 2/20 0.37
DRD4 P21917 1/20 0.35
UTS2R Q9UKP6 1/20 0.35
SCD O00767 1/20 0.34
PDE4B Q07343 1/20 0.33
TNK2 Q07912 1/20 0.33
ACKR3 P25106 1/20 0.33
FGFR1 P11362 1/20 0.33
BCHE P06276 1/20 0.33
ACHE P22303 1/20 0.33
GSK3B P49841 1/20 0.33

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
SCHEMBL13634704 0.96 MCHR1 (0.38) GPR6GLSMCHR1PARP1TNK1
SCHEMBL13634861 0.96 MCHR1 (0.38) GPR6GLSMCHR1PARP1TNK1
SCHEMBL13634687 0.94 GPR6 (0.38) GPR6GLSMCHR1PARP1TNK1
SCHEMBL13634705 0.94 GPR6 (0.39) GPR6GLSMCHR1PARP1TNK1
SCHEMBL13634642 0.92 PARP1 (0.40) GPR6GLSMCHR1PARP1TNK1
SCHEMBL13634522 0.92 GPR6 (0.39) GPR6GLSMCHR1PARP1TNK1
SCHEMBL13634818 0.92 MCHR1 (0.41) GPR6GLSMCHR1PARP1TNK1
SCHEMBL13634832 0.91 GPR6 (0.39) GPR6GLSMCHR1PARP1TNK1
SCHEMBL13634885 0.91 GLS (0.41) GPR6GLSMCHR1SCDFGFR1
SCHEMBL13634701 0.91 GPR6 (0.37) GPR6GLSMCHR1PARP1TNK1

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