SCHEMBL13634327

SCHEMBL13634327

CCc1coc(N2CCC(Oc3ccc(C#N)cn3)CC2)n1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 2/20 0.41
DPP9 Q86TI2 2/20 0.41
DPP8 Q6V1X1 1/20 0.41
HRH3 Q9Y5N1 6/20 0.40
IP6K1 Q92551 1/20 0.38
RET P07949 3/20 0.37
GPR119 Q8TDV5 1/20 0.36
AXL P30530 1/20 0.35
MERTK Q12866 1/20 0.35
TACR3 P29371 1/20 0.35
HSD11B1 P28845 1/20 0.35
KDM1A O60341 1/20 0.35
MDM2 Q00987 1/20 0.35

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
SCHEMBL15888604 0.82 DPP4 (0.45) DPP4DPP9DPP8IP6K1RET
SCHEMBL13638868 0.81 DPP4 (0.38) DPP4DPP9DPP8HRH3IP6K1
SCHEMBL13634227 0.81 DPP4 (0.44) DPP4DPP9DPP8IP6K1GPR119
SCHEMBL13634245 0.80 PDE3B (0.41) HRH3RET
SCHEMBL13634319 0.78 NAAA (0.48) RET
SCHEMBL13634244 0.75 HRH3 (0.42) HRH3AXLMERTK
SCHEMBL13162856 0.75 HRH3 (0.62) DPP4DPP9DPP8HRH3IP6K1
SCHEMBL13634246 0.74 OGA (0.36) RET
SCHEMBL13634302 0.74 PDE3B (0.47) RET
SCHEMBL30222295 0.73 DPP4 (0.52) DPP4DPP9DPP8HRH3IP6K1

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