SCHEMBL13638876

SCHEMBL13638876

COC[C@@H]1CN(Cc2ccc(N=O)c(C=O)c2)CCO1

nearest known ligand 0.49

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 19/20 0.49
GRM2 Q14416 1/20 0.46
DRD2 P14416 1/20 0.46
SIGMAR1 Q99720 1/20 0.46

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
SCHEMBL13638752 0.83 GRM2 (0.43) DRD4GRM2
SCHEMBL13638970 0.82 SYK (0.37) DRD4GRM2
SCHEMBL13638957 0.76 HRH3 (0.49)
SCHEMBL1927637 0.74 DRD4 (0.63) DRD4DRD2
SCHEMBL9582407 0.74 DRD4 (0.73) DRD4DRD2
SCHEMBL1317540 0.74 DRD4 (0.73) DRD4DRD2
SCHEMBL9582052 0.74 DRD4 (0.73) DRD4DRD2
SCHEMBL13638859 0.74 HDAC8 (0.51)
SCHEMBL13162596 0.72 DRD4 (0.50) DRD4GRM2DRD2SIGMAR1
SCHEMBL13638973 0.72 GRM2 (0.49) DRD4GRM2DRD2SIGMAR1

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