SCHEMBL7355246

SCHEMBL7355246

CCOc1ccccc1N1CCN(CCCCN2CCN(c3cccc(Cl)c3)C2=O)CC1

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 7/20 0.60
HTR7 P34969 6/20 0.60
DRD2 P14416 9/20 0.57
DRD3 P35462 7/20 0.57
KCNH2 Q12809 5/20 0.57
HTR2A P28223 3/20 0.52
HTR6 P50406 3/20 0.52
DRD4 P21917 1/20 0.51
ADRA1A P35348 2/20 0.51
ADRA1D P25100 1/20 0.51
ADRA1B P35368 1/20 0.51
MAPT P10636 1/20 0.49
MAPK1 P28482 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49

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
SCHEMBL7343240 0.90 DRD2 (0.59) HTR1AHTR7DRD2DRD3KCNH2
SCHEMBL7351802 0.90 HTR1A (0.58) HTR1AHTR7DRD2DRD3HTR2A
SCHEMBL7343614 0.85 KCNH2 (0.60) DRD2DRD3KCNH2HTR2ADRD4
SCHEMBL6924603 0.81 DRD3 (0.55) HTR1AHTR7DRD2DRD3HTR6
SCHEMBL7344989 0.80 HTR1A (0.64) HTR1AHTR7DRD2DRD3DRD4
SCHEMBL7350903 0.79 KCNH2 (0.76) HTR1ADRD2DRD3KCNH2MAPT
SCHEMBL9299310 0.78 DRD2 (0.54) HTR1ADRD2DRD3KCNH2HTR2A
SCHEMBL6926651 0.78 DRD2 (0.55) HTR1AHTR7DRD2DRD3DRD4
SCHEMBL7353702 0.77 KCNH2 (0.65) DRD2DRD3KCNH2HTR2ADRD4
SCHEMBL7347716 0.77 DRD3 (0.61) DRD2DRD3KCNH2HTR2ADRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0536279-A1 SUBSTITUTED 1-(ALKOXYPHENYL)PIPERAZINES WITH CNS AND ANTIHYPERTENSIVE ACTIVITY THE UPJOHN COMPANY (US) 1993-04-14 EP claimed
WO-1992000282-A1 SUBSTITUTED 1-(ALKOXYPHENYL)PIPERAZINES WITH CNS AND ANTIHYPERTENSIVE ACTIVITY THE UPJOHN COMPANY (US) 1992-01-09 WO claimed
US-5281594-A Dopamine antagonist, Parkinson's disease and drug addiction THE UPJOHN COMPANY (US) 1994-01-25 US disclosed
EP-0536279-A1 SUBSTITUTED 1-(ALKOXYPHENYL)PIPERAZINES WITH CNS AND ANTIHYPERTENSIVE ACTIVITY THE UPJOHN COMPANY (US) 1993-04-14 EP disclosed
WO-1992000282-A1 SUBSTITUTED 1-(ALKOXYPHENYL)PIPERAZINES WITH CNS AND ANTIHYPERTENSIVE ACTIVITY THE UPJOHN COMPANY (US) 1992-01-09 WO disclosed