SCHEMBL9045494

SCHEMBL9045494

Nc1ccc(C#CCCN2CCN(c3ccccn3)CC2)cc1

nearest known ligand 0.69

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 5/20 0.60
DRD3 P35462 5/20 0.60
HTR1A P08908 5/20 0.60
DRD4 P21917 3/20 0.60
HTR2A P28223 3/20 0.60
HTR7 P34969 3/20 0.60
HTR2C P28335 1/20 0.56
POLB P06746 1/20 0.53
KCNH2 Q12809 1/20 0.50
DRD1 P21728 2/20 0.48
ADRA2C P18825 1/20 0.48
DRD5 P21918 1/20 0.48
HRH1 P35367 1/20 0.48
HRH3 Q9Y5N1 1/20 0.47

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
SCHEMBL27738088 0.88 DRD2 (0.63) DRD2DRD3HTR1ADRD4HTR2A
SCHEMBL9044372 0.87 PIK3CA (0.57) DRD2DRD3HTR1ADRD4HTR2A
SCHEMBL9044175 0.85 DRD2 (0.56) DRD2DRD3HTR1ADRD4HTR2A
SCHEMBL9045733 0.83 MAPT (0.51) HTR1APOLBKCNH2
SCHEMBL9044375 0.82 DRD2 (0.55) DRD2DRD3HTR1ADRD4HTR2A
SCHEMBL9046833 0.79 POLB (0.49) DRD2DRD3HTR1ADRD4HTR2A
SCHEMBL9045017 0.78 SLC6A2 (0.49) DRD2DRD3HTR1ADRD4HTR2A
SCHEMBL1509630 0.78 HTR1A (0.83) DRD2DRD3HTR1ADRD4HTR2A
SCHEMBL13711971 0.77 KCNH2 (0.71) DRD2DRD3HTR1ADRD4HTR2A
SCHEMBL312815 0.76 KCNH2 (0.59) DRD2DRD3HTR1ADRD4HTR2A

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 7 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
US-5270312-A Substituted piperazines as central nervous system agents WARNER-LAMBERT COMPANY (US) 1993-12-14 US 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