SCHEMBL13634227

SCHEMBL13634227

N#Cc1ccc(OC2CCN(c3nc(C(=O)O)co3)CC2)nc1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 2/20 0.44
DPP9 Q86TI2 2/20 0.44
DPP8 Q6V1X1 1/20 0.44
DGAT1 O75907 2/20 0.41
GPR6 P46095 7/20 0.40
ITGAL P20701 1/20 0.39
LIPG Q9Y5X9 1/20 0.38
ADORA2A P29274 1/20 0.38
KCNH2 Q12809 1/20 0.38
IP6K1 Q92551 1/20 0.37
PAICS P22234 1/20 0.37
GPR119 Q8TDV5 1/20 0.36
SCD5 Q86SK9 1/20 0.35
FPR2 P25090 1/20 0.35
ACACB O00763 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 0.87 DPP4 (0.45) DPP4DPP9DPP8DGAT1GPR6
SCHEMBL13634327 0.81 DPP4 (0.41) DPP4DPP9DPP8IP6K1GPR119
SCHEMBL13163111 0.80 EPHX2 (0.47) GPR6
SCHEMBL13634228 0.79 EPHX2 (0.45) ACACB
SCHEMBL13638868 0.78 DPP4 (0.38) DPP4DPP9DPP8DGAT1GPR6
SCHEMBL13634781 0.78 GPR6 (0.40) GPR6PAICS
SCHEMBL13634673 0.77 PIM1 (0.43) DPP4DPP9DPP8GPR6PAICS
SCHEMBL13634229 0.76 HRH3 (0.40) GPR6KCNH2
SCHEMBL13634778 0.76 PIM1 (0.39) DPP4DPP9DPP8GPR6PAICS
SCHEMBL13634791 0.76 PIM1 (0.39) DPP4DPP9DPP8GPR6PAICS

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2206707-B1 AZOLECARBOXAMIDE COMPOUND OR SALT THEREOF ASTELLAS PHARMA INC (JP) 2014-07-23 EP disclosed
US-8304547-B2 Azolecarboxamide compound or salt thereof ASTELLAS PHARMA INC. (JP) 2012-11-06 US disclosed
US-8304547-B2 Azolecarboxamide compound or salt thereof ASTELLAS PHARMA INC. (JP) 2012-11-06 US disclosed