SCHEMBL13634347

SCHEMBL13634347

O=C(O)c1coc(N2CC[C@H](Oc3ccccn3)C2)n1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM5A P29375 1/20 0.44
PDE3B Q13370 1/20 0.44
PDE3A Q14432 1/20 0.44
PDE10A Q9Y233 1/20 0.44
EPHX2 P34913 1/20 0.43
RIPK1 Q13546 1/20 0.42
HCRTR1 O43613 1/20 0.41
HCRTR2 O43614 1/20 0.41
ACACB O00763 3/20 0.40
SCN9A Q15858 1/20 0.40
TTR P02766 1/20 0.39
LIPG Q9Y5X9 2/20 0.39
RET P07949 5/20 0.37
HTR2A P28223 1/20 0.37
HTR2C P28335 1/20 0.37
HTR2B P41595 1/20 0.37
LPL P06858 1/20 0.36
LIPC P11150 1/20 0.36
HRH3 Q9Y5N1 2/20 0.36

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
SCHEMBL13163111 0.94 EPHX2 (0.47) KDM5APDE3BPDE3APDE10AEPHX2
SCHEMBL13634225 0.87 EPHX2 (0.38) EPHX2ACACBTTRLIPGLPL
SCHEMBL15888603 0.86 HCRTR1 (0.46) KDM5APDE3BPDE3APDE10AEPHX2
SCHEMBL13270615 0.82 EPHX2 (0.42) KDM5APDE3BPDE3APDE10AEPHX2
SCHEMBL13163108 0.80 EPHX2 (0.42) EPHX2ACACBTTR
SCHEMBL15888646 0.80 HCRTR1 (0.46) KDM5APDE3BPDE3APDE10AEPHX2
SCHEMBL13634302 0.80 PDE3B (0.47) KDM5APDE3BPDE3APDE10AEPHX2
SCHEMBL13634228 0.79 EPHX2 (0.45) EPHX2ACACBRET
SCHEMBL13634332 0.78 SCD5 (0.39) RIPK1ACACBTTR
SCHEMBL13638965 0.77 PDE3B (0.45) KDM5APDE3BPDE3APDE10AEPHX2

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