SCHEMBL9044175

SCHEMBL9044175

Nc1ccc(C#CCCN2CCN(c3ccccn3)CC2)nc1

nearest known ligand 0.62

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 5/20 0.56
DRD4 P21917 5/20 0.56
DRD3 P35462 5/20 0.56
HTR1A P08908 6/20 0.54
HTR2A P28223 4/20 0.54
HTR7 P34969 4/20 0.54
HTR2C P28335 1/20 0.50
POLB P06746 1/20 0.50
KCNH2 Q12809 1/20 0.47
ADRA2C P18825 2/20 0.43
DRD1 P21728 2/20 0.43
DRD5 P21918 2/20 0.43
HRH1 P35367 2/20 0.43
SLC6A2 P23975 1/20 0.43
SLC6A4 P31645 1/20 0.43

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
SCHEMBL9045494 0.85 DRD2 (0.60) DRD2DRD4DRD3HTR1AHTR2A
SCHEMBL9045640 0.82 MAPT (0.51) HTR1APOLBKCNH2
SCHEMBL9044372 0.80 PIK3CA (0.57) DRD2DRD4DRD3HTR1AHTR2A
SCHEMBL9046833 0.79 POLB (0.49) DRD2DRD4DRD3HTR1AHTR2A
SCHEMBL9044375 0.77 DRD2 (0.55) DRD2DRD4DRD3HTR1AHTR2A
SCHEMBL22495310 0.76 GRIN2D (0.56) DRD2DRD4DRD3HTR1AHTR2A
SCHEMBL27738088 0.75 DRD2 (0.63) DRD2DRD4DRD3HTR1AHTR2A
SCHEMBL13711971 0.74 KCNH2 (0.71) DRD2DRD4DRD3HTR1AHTR2A
SCHEMBL312815 0.73 KCNH2 (0.59) DRD2DRD4DRD3HTR1AHTR2A
SCHEMBL9045017 0.73 SLC6A2 (0.49) DRD2DRD4DRD3HTR1AHTR2A

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
EP-0556329-B1 SUBSTITUTED PIPERAZINES AS CENTRAL NERVOUS SYSTEM AGENTS WARNER LAMBERT CO (US) 1996-01-10 EP claimed
EP-0556329-A1 SUBSTITUTED PIPERAZINES AS CENTRAL NERVOUS SYSTEM AGENTS. WARNER LAMBERT CO (US) 1993-08-25 EP claimed
WO-1992007832-A2 SUBSTITUTED PIPERAZINES AS CENTRAL NERVOUS SYSTEM AGENTS WARNER-LAMBERT COMPANY (US) 1992-05-14 WO claimed
EP-0556329-B1 SUBSTITUTED PIPERAZINES AS CENTRAL NERVOUS SYSTEM AGENTS WARNER LAMBERT CO (US) 1996-01-10 EP disclosed
EP-0556329-A1 SUBSTITUTED PIPERAZINES AS CENTRAL NERVOUS SYSTEM AGENTS. WARNER LAMBERT CO (US) 1993-08-25 EP disclosed
WO-1992007832-A2 SUBSTITUTED PIPERAZINES AS CENTRAL NERVOUS SYSTEM AGENTS WARNER-LAMBERT COMPANY (US) 1992-05-14 WO disclosed