SCHEMBL13634858

SCHEMBL13634858

CCCNC(=O)c1cc(CN2CCC[C@@H]2C)ccc1NC(=O)c1csc(N2CCC(Oc3ncccn3)CC2)n1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GPR6 P46095 3/20 0.37
GLS O94925 1/20 0.37
MCHR1 Q99705 2/20 0.36
PARP1 P09874 1/20 0.35
TNK1 Q13470 1/20 0.35
BMPR1B O00238 4/20 0.35
BMPR1A P36894 4/20 0.35
TGFBR1 P36897 4/20 0.35
ACVRL1 P37023 4/20 0.35
ACVR1 Q04771 4/20 0.35
SLC2A1 P11166 1/20 0.35
HRH3 Q9Y5N1 1/20 0.34
TP53 P04637 1/20 0.34
S1PR1 P21453 1/20 0.34
SCD O00767 1/20 0.33
RAB9A P51151 1/20 0.33
FGFR1 P11362 1/20 0.32
SMO Q99835 1/20 0.32

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
SCHEMBL13634700 1.00 GPR6 (0.37) GPR6GLSMCHR1PARP1TNK1
SCHEMBL13638881 0.94 SLC2A1 (0.37) GPR6MCHR1PARP1TNK1BMPR1B
SCHEMBL13638988 0.94 SLC2A1 (0.37) GPR6MCHR1PARP1TNK1BMPR1B
SCHEMBL13634832 0.91 GPR6 (0.39) GPR6GLSMCHR1PARP1TNK1
SCHEMBL13634701 0.91 GPR6 (0.37) GPR6GLSMCHR1PARP1TNK1
SCHEMBL13634642 0.90 PARP1 (0.40) GPR6GLSMCHR1PARP1TNK1
SCHEMBL13634885 0.90 GLS (0.41) GPR6GLSMCHR1HRH3SCD
SCHEMBL13634618 0.89 GPR6 (0.38) GPR6GLSMCHR1PARP1TNK1
SCHEMBL13634583 0.89 GLS (0.39) GPR6GLSMCHR1PARP1TNK1
SCHEMBL13634876 0.89 GLS (0.41) 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