SCHEMBL13634706

SCHEMBL13634706

CCCNC(=O)c1cc(CN2[C@@H](C)COC[C@@H]2C)ccc1NC(=O)c1csc(N2CCC(Oc3ncccn3)CC2)n1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GPR6 P46095 3/20 0.37
GLS O94925 1/20 0.37
MCHR1 Q99705 1/20 0.35
OPRK1 P41145 1/20 0.35
KMT2A Q03164 1/20 0.35
IRAK4 Q9NWZ3 2/20 0.34
PARP1 P09874 1/20 0.34
TNK1 Q13470 1/20 0.34
INSR P06213 1/20 0.34
ITK Q08881 1/20 0.34
SCD O00767 1/20 0.33
FGFR1 P11362 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
SCHEMBL13634526 1.00 GPR6 (0.37) GPR6GLSMCHR1OPRK1KMT2A
SCHEMBL13634832 0.95 GPR6 (0.39) GPR6GLSMCHR1OPRK1KMT2A
SCHEMBL13638939 0.94 KMT2A (0.36) GPR6MCHR1OPRK1KMT2AIRAK4
SCHEMBL13638911 0.94 KMT2A (0.36) GPR6MCHR1OPRK1KMT2AIRAK4
SCHEMBL13634583 0.91 GLS (0.39) GPR6GLSMCHR1OPRK1KMT2A
SCHEMBL13634885 0.89 GLS (0.41) GPR6GLSMCHR1OPRK1KMT2A
SCHEMBL13634858 0.89 GPR6 (0.37) GPR6GLSMCHR1PARP1TNK1
SCHEMBL13634700 0.89 GPR6 (0.37) GPR6GLSMCHR1PARP1TNK1
SCHEMBL13638883 0.89 MCHR1 (0.35) GPR6MCHR1OPRK1KMT2APARP1
SCHEMBL13634818 0.89 MCHR1 (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