SCHEMBL13634705

SCHEMBL13634705

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

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GPR6 P46095 4/20 0.39
GLS O94925 1/20 0.38
MCHR1 Q99705 2/20 0.37
PARP1 P09874 1/20 0.37
TNK1 Q13470 1/20 0.37
UTS2R Q9UKP6 1/20 0.36
SCD O00767 2/20 0.35
DRD4 P21917 1/20 0.34
ACKR3 P25106 1/20 0.34
DNM1L O00429 1/20 0.34
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
SCHEMBL13634522 0.97 GPR6 (0.39) GPR6GLSMCHR1PARP1TNK1
SCHEMBL13634818 0.95 MCHR1 (0.41) GPR6GLSMCHR1PARP1TNK1
SCHEMBL13638994 0.94 MCHR1 (0.37) GPR6MCHR1PARP1TNK1UTS2R
SCHEMBL13634618 0.94 GPR6 (0.38) GPR6GLSMCHR1PARP1TNK1
SCHEMBL13634687 0.94 GPR6 (0.38) GPR6GLSMCHR1PARP1TNK1
SCHEMBL13634642 0.92 PARP1 (0.40) GPR6GLSMCHR1PARP1TNK1
SCHEMBL13634704 0.91 MCHR1 (0.38) GPR6GLSMCHR1PARP1TNK1
SCHEMBL13634861 0.91 MCHR1 (0.38) GPR6GLSMCHR1PARP1TNK1
SCHEMBL13638909 0.91 MCHR1 (0.38) GPR6MCHR1PARP1TNK1UTS2R
SCHEMBL13634805 0.91 MCHR1 (0.38) GPR6MCHR1PARP1TNK1UTS2R

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