SCHEMBL1387958

SCHEMBL1387958

COc1ccccc1N1CCN(CCCNC(=O)c2ccccc2OCCCc2ccccc2)CC1

nearest known ligand 0.69

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 11/20 0.69
DRD3 P35462 11/20 0.69
DRD4 P21917 8/20 0.68
SLC6A2 P23975 1/20 0.65
SLC6A4 P31645 1/20 0.65
HTR1A P08908 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
SCHEMBL1388028 0.96 DRD2 (0.69) DRD2DRD3DRD4SLC6A2SLC6A4
SCHEMBL1388189 0.91 DRD2 (0.72) DRD2DRD3DRD4SLC6A2SLC6A4
Hydrochloric Acid SCHEMBL8980926 0.90 DRD2 (0.70) DRD2DRD3DRD4SLC6A2SLC6A4
SCHEMBL1387965 0.88 DRD2 (0.70) DRD2DRD3DRD4SLC6A2SLC6A4
Hydrochloric Acid SCHEMBL8980714 0.87 DRD2 (0.69) DRD2DRD3DRD4SLC6A2SLC6A4
SCHEMBL1388194 0.85 DRD2 (0.72) DRD2DRD3DRD4SLC6A2SLC6A4
SCHEMBL1388239 0.85 DRD2 (0.74) DRD2DRD3DRD4SLC6A2SLC6A4
SCHEMBL10908587 0.84 DRD2 (0.83) DRD2DRD3DRD4HTR1A
SCHEMBL1388213 0.84 DRD2 (0.70) DRD2DRD3DRD4SLC6A2SLC6A4
Hydrochloric Acid SCHEMBL8980742 0.84 DRD2 (0.73) DRD2DRD3DRD4SLC6A2SLC6A4

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 6 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
EP-0711288-A1 PIPERAZINE DERIVATIVES AS ALPHA 1A-ADRENERGIC RECEPTOR ANTAGONISTS RECORDATI INDUSTRIA CHIMICA E FARMACEUTICA S.p.a. (IT) 1996-05-15 EP disclosed
WO-1995004049-A1 PIPERAZINE DERIVATIVES AS α1A-ADRENERGIC RECEPTOR ANTAGONISTS RECORDATI S.A., CHEMICAL AND PHARMACEUTICAL COMPANY (CH) 1995-02-09 WO disclosed