SCHEMBL27263980

SCHEMBL27263980

COc1cccc(N2CCN(CCNc3cn[nH]c(=O)c3)CC2)c1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ DRD2 P14416 3/20 0.54
▸ KCNH2 Q12809 2/20 0.54
▸ HTR1A P08908 7/20 0.51
▸ DRD4 P21917 5/20 0.51
▸ HTR7 P34969 2/20 0.51
▸ HTR2A P28223 2/20 0.51
▸ ADRA2A P08913 1/20 0.51
▸ ADRA2C P18825 1/20 0.51
▸ HRH2 P25021 1/20 0.51
▸ HTR1B P28222 1/20 0.51
▸ ADRA1A P35348 1/20 0.51
▸ HRH1 P35367 1/20 0.51
▸ ADRA1B P35368 1/20 0.51
▸ HTR2B P41595 1/20 0.51
▸ SIGMAR1 Q99720 1/20 0.51
▸ HTR2C P28335 1/20 0.48
▸ DRD3 P35462 1/20 0.48

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
SCHEMBL5926141 0.86 KCNH2 (0.53) DRD2KCNH2HTR1AHTR7HTR2A
SCHEMBL5926097 0.86 HTR7 (0.56) DRD2KCNH2HTR1AHTR7HTR2A
SCHEMBL5926252 0.80 HTR2A (0.53) DRD2HTR1ADRD4HTR7HTR2A
SCHEMBL27263291 0.79 DRD2 (0.54) DRD2KCNH2HTR1ADRD4HTR7
SCHEMBL5926075 0.79 HTR1A (0.47) DRD2HTR1ADRD4ADRA2AADRA2C
SCHEMBL5926074 0.79 HTR1A (0.41) DRD2HTR1AHTR2AADRA1AADRA1B
Hydrochloric Acid SCHEMBL5926076 0.78 HTR1A (0.41) DRD2HTR1AHTR7HTR2AADRA1A
Hydrochloric Acid SCHEMBL5926077 0.78 HTR1A (0.47) DRD2HTR1ADRD4ADRA2AADRA2C
SCHEMBL5926085 0.77 PIM1 (0.47) DRD2HTR1ADRD4HTR2AHTR2C
SCHEMBL27264122 0.76 DRD4 (0.50) DRD2KCNH2HTR1ADRD4HTR7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1022565-C Process for preparing piperazinylalkyl-3(2H)-pyridazinones CL PHARMA (AT) 1993-10-27 — — CN disclosed
CN-1043129-A New piperazinyl alkyl-3 (2H)-pyridazinone, its preparation method and as the application of hypotensive agent CL PHARMA (AT) 1990-06-20 — — CN disclosed
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