SCHEMBL13638971

SCHEMBL13638971

O=Cc1cc(CN2C3CCC2CC3)ccc1N=O

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.43
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
ADORA2A P29274 1/20 0.33
ADORA1 P30542 1/20 0.33
DRD2 P14416 2/20 0.33
DRD4 P21917 2/20 0.33
DRD3 P35462 2/20 0.33
LTA4H P09960 2/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
CDK1 P06493 1/20 0.30
ARG1 P05089 2/20 0.30
ARG2 P78540 2/20 0.30
CHRM2 P08172 1/20 0.30
CHRM4 P08173 1/20 0.30
CHRM5 P08912 1/20 0.30

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
SCHEMBL13638748 0.86 ADORA2A (0.35) SIGMAR1ADORA2AADORA1
SCHEMBL13638857 0.79 ALDH1A1 (0.47) ALDH1A1LMNADRD2DRD4DRD3
SCHEMBL13638957 0.75 HRH3 (0.49) ALDH1A1LMNA
SCHEMBL13638843 0.73 CCNC (0.37)
SCHEMBL20961917 0.73 ALDH1A1 (0.40) ALDH1A1LMNAMEN1KMT2ACDK1
SCHEMBL13638859 0.72 HDAC8 (0.51) ALDH1A1
SCHEMBL13638752 0.71 GRM2 (0.43) DRD4
SCHEMBL13638834 0.70 L3MBTL1 (0.49) SIGMAR1
SCHEMBL13638739 0.68 GRM2 (0.42) ALDH1A1LMNAMEN1KMT2A
SCHEMBL13638876 0.68 DRD4 (0.49) SIGMAR1DRD2DRD4

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