SCHEMBL3239128

SCHEMBL3239128

O=C(O)NCCCN1CCN(c2cccc(Cl)c2)CC1

nearest known ligand 0.74

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 4/20 0.74
DRD2 P14416 3/20 0.74
HTR1A P08908 1/20 0.74
HTR7 P34969 1/20 0.74
HTR6 P50406 1/20 0.74
DRD4 P21917 1/20 0.71
KCNH2 Q12809 1/20 0.68
HTR2C P28335 3/20 0.66
SLC6A4 P31645 3/20 0.66
ADRA1A P35348 1/20 0.64
DRD3 P35462 1/20 0.64
MAPT P10636 2/20 0.64
KMT2A Q03164 1/20 0.64
TP53 P04637 1/20 0.64
SIGMAR1 Q99720 1/20 0.63
L3MBTL1 Q9Y468 1/20 0.62

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
SCHEMBL14514768 0.89 DRD2 (0.73) HTR2ADRD2HTR1AHTR7HTR6
SCHEMBL1727871 0.86 DRD2 (0.71) HTR2ADRD2HTR1AHTR7DRD4
SCHEMBL13946744 0.84 DRD2 (0.79) DRD2DRD4ADRA1ADRD3MAPT
Hydrochloric Acid SCHEMBL3434997 0.84 KCNH2 (0.72) HTR2ADRD2HTR1AHTR7HTR6
SCHEMBL30767216 0.83 KCNH2 (0.90) HTR2ADRD2HTR1AHTR7HTR6
SCHEMBL2213204 0.83 HTR2A (0.62) HTR2ADRD2HTR1AHTR7HTR6
SCHEMBL8477588 0.83 KCNH2 (0.74) HTR2ADRD2HTR1AHTR7HTR6
SCHEMBL12441084 0.83 KCNH2 (0.74) HTR2ADRD2HTR1AHTR7HTR6
Hydrochloric Acid SCHEMBL7658247 0.82 KCNH2 (0.88) HTR2ADRD2HTR1AHTR7HTR6
SCHEMBL4525555 0.82 KCNH2 (1.00) HTR2ADRD2HTR1AHTR7HTR6

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
WO-2010038948-A2 ARYLPIPERAZINE-CONTAINING PYRROLE 3-CARBOXAMIDE DERIVATIVES FOR TREATING DEPRESSIVE DISORDERS GREEN CROSS CORPORATION (KR) 2010-04-08 WO disclosed