SCHEMBL13634843

SCHEMBL13634843

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

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GPR6 P46095 5/20 0.38
GLS O94925 1/20 0.35
ACKR3 P25106 1/20 0.34
OPRK1 P41145 1/20 0.34
KMT2A Q03164 1/20 0.34
SCD O00767 2/20 0.34
IRAK4 Q9NWZ3 2/20 0.33
FGFR1 P11362 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
EPHX2 P34913 1/20 0.33
CYP2J2 P51589 1/20 0.33
PIM1 P11309 1/20 0.32
PIM3 Q86V86 1/20 0.32
PIM2 Q9P1W9 1/20 0.32
FFAR1 O14842 2/20 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
SCHEMBL13634587 0.92 GPR6 (0.36) GPR6OPRK1KMT2ASCDIRAK4
SCHEMBL13634681 0.91 HRH3 (0.38) GPR6OPRK1KMT2ASCDIRAK4
SCHEMBL13638990 0.89 MAP4K1 (0.38) GPR6IRAK4
SCHEMBL13634800 0.87 IRAK4 (0.46) GPR6OPRK1KMT2AIRAK4
SCHEMBL13634885 0.86 GLS (0.41) GPR6GLSOPRK1KMT2ASCD
SCHEMBL13634876 0.85 GLS (0.41) GPR6GLSOPRK1KMT2ASCD
SCHEMBL13638779 0.85 MAP4K1 (0.39) GPR6FFAR1
SCHEMBL13638904 0.85 MAP4K1 (0.39) GPR6PIM2
SCHEMBL13634838 0.85 SCD (0.41) GPR6GLSOPRK1KMT2ASCD
SCHEMBL13634642 0.84 PARP1 (0.40) GPR6GLSACKR3CYP2C9

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