SCHEMBL9763518

SCHEMBL9763518

COc1ccccc1N1CCN(CCNc2c(Cl)cnn(CCN(C)C)c2=O)CC1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 7/20 0.52
ADRA1D P25100 6/20 0.52
ADRA1A P35348 6/20 0.52
ADRA1B P35368 6/20 0.52
ADRA2A P08913 1/20 0.49
ADRA2B P18089 1/20 0.49
ADRA2C P18825 1/20 0.49
DRD4 P21917 1/20 0.49
HRH2 P25021 1/20 0.49
HTR1D P28221 1/20 0.49
HTR1B P28222 1/20 0.49
HTR2A P28223 1/20 0.49
HTR7 P34969 1/20 0.49
HRH1 P35367 1/20 0.49
HTR2B P41595 1/20 0.49
SIGMAR1 Q99720 1/20 0.49

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
SCHEMBL9527012 0.89 HTR1A (0.56) HTR1AADRA1DADRA1AADRA1BADRA2A
SCHEMBL9528871 0.88 BPTF (0.47) HTR1AADRA1DADRA1AADRA1BHTR7
SCHEMBL9528648 0.88 HTR1A (0.56) HTR1AADRA1DADRA1AADRA1B
SCHEMBL9526736 0.86 ADRA1A (0.62) HTR1AADRA1DADRA1AADRA1BADRA2A
SCHEMBL9526933 0.85 HTR1A (0.58) HTR1AADRA1DADRA1AADRA1BADRA2A
SCHEMBL27263870 0.83 DRD4 (0.50) HTR1AADRA1AADRA1BADRA2AADRA2C
SCHEMBL9527540 0.83 ADRA1A (0.54) HTR1AADRA1DADRA1AADRA1BADRA2A
SCHEMBL9531782 0.82 HTR1A (0.53) HTR1AADRA1DADRA1AADRA1BADRA2A
SCHEMBL9526823 0.81 HTR1A (0.64) HTR1AADRA1DADRA1AADRA1BADRA2A
SCHEMBL9527725 0.80 HTR1A (0.60) HTR1AADRA1DADRA1AADRA1BADRA2A

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 3 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
US-5034391-A Piperazinylalkyl-3(2H)-pyridazinones and the use thereof as agents lowering blood pressure CL PHARMA AKTIENGESELLSCHAFT (AT) 1991-07-23 US 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