SCHEMBL13638868

SCHEMBL13638868

CC1OC(c2coc(N3CCC(Oc4ccc(C#N)cn4)CC3)n2)O1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 2/20 0.38
DPP9 Q86TI2 2/20 0.38
DPP8 Q6V1X1 1/20 0.38
HRH3 Q9Y5N1 3/20 0.35
DGAT1 O75907 1/20 0.35
AXL P30530 1/20 0.34
MERTK Q12866 1/20 0.34
TRPC3 Q13507 2/20 0.34
TRPC6 Q9Y210 2/20 0.34
HSD11B1 P28845 1/20 0.34
RET P07949 2/20 0.34
GPR6 P46095 1/20 0.33
DCK P27707 2/20 0.33
IP6K1 Q92551 1/20 0.33
CHRM4 P08173 1/20 0.33
PDE3B Q13370 1/20 0.32
PDE3A Q14432 1/20 0.32
PDE10A Q9Y233 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
SCHEMBL13634327 0.81 DPP4 (0.41) DPP4DPP9DPP8HRH3AXL
SCHEMBL13162802 0.81 RET (0.41) HRH3RETPDE3BPDE3APDE10A
SCHEMBL13162320 0.80 NAAA (0.43) RET
SCHEMBL13634227 0.78 DPP4 (0.44) DPP4DPP9DPP8DGAT1GPR6
SCHEMBL13162330 0.77 HRH3 (0.42) HRH3AXLMERTKCHRM4
SCHEMBL13162326 0.76 OGA (0.34)
SCHEMBL15888604 0.76 DPP4 (0.45) DPP4DPP9DPP8DGAT1AXL
SCHEMBL13638965 0.75 PDE3B (0.45) RETPDE3BPDE3APDE10A
SCHEMBL13163989 0.74 CHRM4 (0.34) AXLMERTKDCKCHRM4
SCHEMBL13162801 0.73 GPR119 (0.34)

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