SCHEMBL1656136

SCHEMBL1656136

COc1ccc2c(c1)NC(=O)C2CCCN1CCN(C)CC1

nearest known ligand 0.64

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 13/20 0.64
HTR1A P08908 1/20 0.48
DRD2 P14416 2/20 0.45
DRD1 P21728 2/20 0.45
HTR2A P28223 2/20 0.45
HTR2C P28335 2/20 0.45
ADRA1A P35348 2/20 0.45
HTR6 P50406 2/20 0.45
SIGMAR1 Q99720 2/20 0.44

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
SCHEMBL1129626 0.79 HTR7 (0.49) HTR7HTR2A
Hydrochloric Acid SCHEMBL1129043 0.78 HTR7 (0.48) HTR7HTR2A
SCHEMBL1456522 0.78 HTR7 (1.00) HTR7HTR1ADRD2DRD1HTR2A
Oxalic Acid SCHEMBL1456651 0.74 HTR7 (0.91) HTR7HTR1ADRD2DRD1HTR2A
SCHEMBL1456230 0.74 HTR7 (0.81) HTR7HTR1ADRD2DRD1HTR2A
Oxalic Acid SCHEMBL4614074 0.71 HTR7 (0.75) HTR7HTR1ADRD2DRD1HTR2A
SCHEMBL2526545 0.70 CDYL2 (0.52) HTR7
SCHEMBL25004003 0.70 HTR7 (0.61) HTR7HTR1ADRD2
SCHEMBL7383444 0.69 CDYL2 (0.54) HTR7
SCHEMBL28567244 0.69 CDYL2 (0.51) HTR7

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
JP-2011512389-A 2011-04-21 JP claimed