SCHEMBL1388239

SCHEMBL1388239

COc1ccccc1N1CCN(CCCNC(=O)c2ccccc2Oc2ccccc2)CC1

nearest known ligand 0.74

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 11/20 0.74
DRD3 P35462 8/20 0.74
DRD4 P21917 7/20 0.74
SLC6A4 P31645 2/20 0.69
SLC6A2 P23975 1/20 0.69
HTR1A P08908 1/20 0.67
ADRA2A P08913 1/20 0.67
HTR2A P28223 1/20 0.65
HTR2C P28335 1/20 0.65
KCNH2 Q12809 1/20 0.65

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 SCHEMBL8980742 0.99 DRD2 (0.73) DRD2DRD3DRD4SLC6A4SLC6A2
SCHEMBL10908587 0.88 DRD2 (0.83) DRD2DRD3DRD4HTR1AHTR2A
SCHEMBL8980577 0.87 DRD2 (0.75) DRD2DRD3DRD4SLC6A4SLC6A2
SCHEMBL1388189 0.86 DRD2 (0.72) DRD2DRD3DRD4SLC6A4SLC6A2
Hydrochloric Acid SCHEMBL8980926 0.85 DRD2 (0.70) DRD2DRD3DRD4SLC6A4SLC6A2
SCHEMBL14761584 0.85 DRD2 (0.94) DRD2DRD3DRD4SLC6A4SLC6A2
SCHEMBL1388028 0.85 DRD2 (0.69) DRD2DRD3DRD4SLC6A4SLC6A2
SCHEMBL1387958 0.85 DRD2 (0.69) DRD2DRD3DRD4SLC6A4SLC6A2
SCHEMBL1388027 0.85 DRD3 (0.69) DRD2DRD3DRD4SLC6A4SLC6A2
SCHEMBL1388194 0.84 DRD2 (0.72) DRD2DRD3DRD4SLC6A4SLC6A2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-H09500883-A 1997-01-28 JP claimed
CN-1132508-A Piperazine derivatives REORDATI IND CHIMICA E FARMACE (CH) 1996-10-02 CN claimed
EP-0711288-A1 PIPERAZINE DERIVATIVES AS ALPHA 1A-ADRENERGIC RECEPTOR ANTAGONISTS RECORDATI INDUSTRIA CHIMICA E FARMACEUTICA S.p.a. (IT) 1996-05-15 EP claimed
WO-1995004049-A1 PIPERAZINE DERIVATIVES AS α1A-ADRENERGIC RECEPTOR ANTAGONISTS RECORDATI S.A., CHEMICAL AND PHARMACEUTICAL COMPANY (CH) 1995-02-09 WO claimed