SCHEMBL3265484

SCHEMBL3265484

O=C(NCCCN1CCN(c2cccc3cccnc23)CC1)c1cc[nH]c1

nearest known ligand 0.60

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 3/20 0.60
HTR2C P28335 3/20 0.60
SLC6A4 P31645 3/20 0.60
HTR1A P08908 1/20 0.52
DRD2 P14416 1/20 0.52
DRD3 P35462 1/20 0.52

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
SCHEMBL3268873 0.89 DRD2 (0.55) HTR2AHTR2CHTR1ADRD2DRD3
Hydrochloric Acid SCHEMBL7531187 0.81 DRD3 (0.60) HTR2AHTR2CSLC6A4HTR1ADRD2
Hydrochloric Acid SCHEMBL7351318 0.81 DRD2 (0.67) HTR2AHTR2CSLC6A4HTR1ADRD2
SCHEMBL3265653 0.81 DRD3 (0.67) HTR2AHTR2CSLC6A4HTR1ADRD2
Hydrochloric Acid SCHEMBL10562530 0.80 HTR1A (0.64) HTR1ADRD2DRD3
SCHEMBL7342776 0.80 DRD2 (0.68) HTR2AHTR2CSLC6A4HTR1ADRD2
SCHEMBL7528070 0.80 DRD3 (0.61) HTR2AHTR2CSLC6A4HTR1ADRD2
Hydrochloric Acid SCHEMBL7424220 0.78 DRD2 (0.57) HTR2AHTR2CSLC6A4HTR1ADRD2
Hydrochloric Acid SCHEMBL2215609 0.76 HTR2A (0.82) HTR2AHTR2CSLC6A4HTR1ADRD2
SCHEMBL2216114 0.76 HTR2A (0.76) HTR2AHTR2CSLC6A4HTR1ADRD2

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