SCHEMBL16256995

SCHEMBL16256995

COc1ccc(-c2cc(C(=O)NCCCCN3CCN(c4cccc(Cl)c4Cl)CC3)c(C)[nH]2)cc1

nearest known ligand 0.81

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 14/20 0.81
HTR2C P28335 13/20 0.81
SLC6A4 P31645 13/20 0.81
DRD2 P14416 8/20 0.79
DRD4 P21917 8/20 0.79
DRD3 P35462 4/20 0.79
KCNH2 Q12809 2/20 0.79
HTR1A P08908 1/20 0.79
HTR7 P34969 1/20 0.79
HTR6 P50406 1/20 0.79
SIGMAR1 Q99720 2/20 0.60

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
Hydrochloric Acid SCHEMBL2215628 0.99 HTR2A (0.81) HTR2AHTR2CSLC6A4DRD2DRD4
SCHEMBL12514245 0.98 HTR2A (0.85) HTR2AHTR2CSLC6A4DRD2DRD4
Hydrochloric Acid SCHEMBL2213455 0.97 HTR2A (0.85) HTR2AHTR2CSLC6A4DRD2DRD4
SCHEMBL12514241 0.94 HTR2A (0.82) HTR2AHTR2CSLC6A4DRD2DRD4
SCHEMBL12514906 0.94 HTR2A (0.70) HTR2AHTR2CSLC6A4DRD2DRD4
Hydrochloric Acid SCHEMBL2216015 0.94 HTR2A (0.81) HTR2AHTR2CSLC6A4DRD2DRD4
SCHEMBL12441249 0.92 HTR2A (0.95) HTR2AHTR2CSLC6A4DRD2DRD4
SCHEMBL12441269 0.92 HTR2A (0.86) HTR2AHTR2CSLC6A4DRD2DRD4
Hydrochloric Acid SCHEMBL2217646 0.91 HTR2A (0.95) HTR2AHTR2CSLC6A4DRD2DRD4
SCHEMBL12441240 0.91 HTR2A (0.95) HTR2AHTR2CSLC6A4DRD2DRD4

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-8895558-B2 Arylpiperazine-containing pyrrole 3-carboxamide derivatives for treating depressive disorders GREEN CROSS CORPORATION (KR) 2014-11-25 US disclosed