SCHEMBL27264122

SCHEMBL27264122

COc1cccc(NCCN2CCN(c3cnn(C)c(=O)c3)CC2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DRD4 P21917 8/20 0.50
▸ DRD2 P14416 6/20 0.50
▸ HTR7 P34969 3/20 0.50
▸ HTR1A P08908 1/20 0.50
▸ ADRA2A P08913 1/20 0.50
▸ ADRA2C P18825 1/20 0.50
▸ HRH2 P25021 1/20 0.50
▸ HTR1B P28222 1/20 0.50
▸ HTR2A P28223 1/20 0.50
▸ ADRA1A P35348 1/20 0.50
▸ HRH1 P35367 1/20 0.50
▸ ADRA1B P35368 1/20 0.50
▸ HTR2B P41595 1/20 0.50
▸ SIGMAR1 Q99720 1/20 0.50
▸ ALOX15 P16050 1/20 0.49
▸ MAPT P10636 2/20 0.49
▸ TP53 P04637 1/20 0.49
▸ KCNH2 Q12809 2/20 0.47
▸ ALDH1A1 P00352 1/20 0.47
▸ HTR2C P28335 1/20 0.46

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
SCHEMBL27263864 0.88 MAPT (0.53) DRD4DRD2HTR7HTR1AADRA2A
SCHEMBL27263872 0.83 DRD2 (0.47) DRD4DRD2HTR7HTR1AHTR2A
SCHEMBL27263188 0.81 DRD4 (0.45) DRD4DRD2HTR7HTR1AADRA2A
SCHEMBL27263187 0.81 DRD4 (0.48) DRD4DRD2HTR1AADRA1AADRA1B
SCHEMBL27264119 0.81 ALOX15 (0.43) DRD4DRD2HTR7HTR1AADRA2A
SCHEMBL27263185 0.81 TRPC5 (0.51) DRD4DRD2HTR7HTR1AADRA2A
SCHEMBL27263632 0.80 HTR1A (0.48) DRD4DRD2HTR1AADRA1AADRA1B
SCHEMBL9527520 0.77 HTR7 (0.55) DRD2HTR7HTR1AADRA1AADRA1B
SCHEMBL9527896 0.76 HTR1A (0.62) DRD4DRD2HTR7HTR1AADRA2A
SCHEMBL27263980 0.76 DRD2 (0.54) DRD4DRD2HTR7HTR1AADRA2A

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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