SCHEMBL13634710

SCHEMBL13634710

CCCNC(=O)c1cc(CN2CCC3(CCCO3)CC2)ccc1NC(=O)c1csc(N2CCC(Oc3ncccn3)CC2)n1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 1/20 0.37
PARP1 P09874 2/20 0.37
TNK1 Q13470 2/20 0.37
CHRM2 P08172 5/20 0.36
CHRM3 P20309 5/20 0.36
GPR6 P46095 1/20 0.35
GLS O94925 1/20 0.35
FFAR1 O14842 3/20 0.34
PIM2 Q9P1W9 1/20 0.34
TNK2 Q07912 1/20 0.33
DRD4 P21917 1/20 0.33
UTS2R Q9UKP6 1/20 0.33
PDE4B Q07343 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
SCHEMBL13638819 0.94 MCHR1 (0.37) MCHR1PARP1TNK1CHRM2CHRM3
SCHEMBL13634642 0.90 PARP1 (0.40) MCHR1PARP1TNK1GPR6GLS
SCHEMBL13634818 0.88 MCHR1 (0.41) MCHR1PARP1TNK1GPR6GLS
SCHEMBL13634618 0.87 GPR6 (0.38) MCHR1PARP1TNK1GPR6GLS
SCHEMBL13634687 0.87 GPR6 (0.38) MCHR1PARP1TNK1GPR6GLS
SCHEMBL13634705 0.86 GPR6 (0.39) MCHR1PARP1TNK1GPR6GLS
SCHEMBL13634819 0.86 IRAK4 (0.41) PARP1TNK1CHRM2CHRM3
SCHEMBL13634885 0.86 GLS (0.41) MCHR1GPR6GLS
SCHEMBL13634704 0.85 MCHR1 (0.38) MCHR1PARP1TNK1GPR6GLS
SCHEMBL13634522 0.85 GPR6 (0.39) MCHR1PARP1TNK1GPR6GLS

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