SCHEMBL13634704

SCHEMBL13634704

CCCNC(=O)c1cc(CN2CC[C@@H](C)C2)ccc1NC(=O)c1csc(N2CCC(Oc3ncccn3)CC2)n1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 3/20 0.38
GPR6 P46095 2/20 0.37
GLS O94925 1/20 0.37
PARP1 P09874 1/20 0.36
TNK1 Q13470 1/20 0.36
DRD4 P21917 1/20 0.35
UTS2R Q9UKP6 1/20 0.35
ACKR3 P25106 1/20 0.34
S1PR1 P21453 1/20 0.34
SLC2A1 P11166 1/20 0.34
BCHE P06276 1/20 0.34
ACHE P22303 1/20 0.34
GSK3B P49841 1/20 0.34
SCD O00767 1/20 0.33
MAPT P10636 1/20 0.33
F10 P00742 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
SCHEMBL13634861 1.00 MCHR1 (0.38) MCHR1GPR6GLSPARP1TNK1
SCHEMBL13634618 0.96 GPR6 (0.38) MCHR1GPR6GLSPARP1TNK1
SCHEMBL13638886 0.94 MCHR1 (0.38) MCHR1PARP1TNK1UTS2RACKR3
SCHEMBL13638822 0.94 MCHR1 (0.38) MCHR1PARP1TNK1UTS2RACKR3
SCHEMBL13634522 0.93 GPR6 (0.39) MCHR1GPR6GLSPARP1TNK1
SCHEMBL13634818 0.92 MCHR1 (0.41) MCHR1GPR6GLSPARP1TNK1
SCHEMBL13634687 0.92 GPR6 (0.38) MCHR1GPR6GLSPARP1TNK1
SCHEMBL13634705 0.91 GPR6 (0.39) MCHR1GPR6GLSPARP1TNK1
SCHEMBL13634642 0.91 PARP1 (0.40) MCHR1GPR6GLSPARP1TNK1
SCHEMBL13634832 0.90 GPR6 (0.39) MCHR1GPR6GLSPARP1TNK1

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