SCHEMBL27263291

SCHEMBL27263291

COc1cccc(N2CCN(CCNc3ccn[nH]c3=O)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 6/20 0.50
▸ DRD4 P21917 4/20 0.50
▸ DCTPP1 Q9H773 2/20 0.50
▸ HTR2A P28223 2/20 0.49
▸ DRD3 P35462 1/20 0.49
▸ HTR7 P34969 2/20 0.49
▸ ADRA2A P08913 1/20 0.48
▸ ADRA2C P18825 1/20 0.48
▸ HRH2 P25021 1/20 0.48
▸ HTR1B P28222 1/20 0.48
▸ ADRA1A P35348 1/20 0.48
▸ HRH1 P35367 1/20 0.48
▸ ADRA1B P35368 1/20 0.48
▸ HTR2B P41595 1/20 0.48
▸ SIGMAR1 Q99720 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
SCHEMBL6586501 0.84 HTR7 (0.48) DRD2KCNH2HTR1AHTR2AHTR7
SCHEMBL27263871 0.80 TSHR (0.48) DRD2HTR1ADRD4ADRA1AADRA1B
SCHEMBL9527044 0.80 HTR1A (0.63) DRD2HTR1ADRD4DRD3ADRA1A
SCHEMBL10431149 0.79 HTR7 (0.43) DRD2HTR1ADRD3HTR7ADRA1A
SCHEMBL27263980 0.79 DRD2 (0.54) DRD2KCNH2HTR1ADRD4HTR2A
SCHEMBL9531536 0.77 KCNH2 (0.53) DRD2KCNH2HTR1ADRD4HTR2A
SCHEMBL9528402 0.76 HTR1A (0.61) DRD2HTR1AHTR2ADRD3HTR7
SCHEMBL27352770 0.76 DRD3 (0.61) DRD2KCNH2HTR1ADRD4HTR2A
SCHEMBL9527740 0.76 DRD2 (0.64) DRD2HTR1ADRD4HTR2ADRD3
SCHEMBL11446702 0.75 HTR1A (0.67) DRD2KCNH2HTR1ADRD4HTR2A

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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