SCHEMBL9528237

SCHEMBL9528237

Cn1nccc(NCCCN2CCN(c3ccccn3)CC2)c1=O

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.51
KCNH2 Q12809 1/20 0.51
SLC6A4 P31645 2/20 0.49
DRD3 P35462 3/20 0.48
HTR7 P34969 3/20 0.48
HTR1A P08908 3/20 0.48
HTR2A P28223 3/20 0.48
DRD2 P14416 2/20 0.48
HTR2C P28335 1/20 0.48
GRIN1 Q05586 1/20 0.48
GRIN2B Q13224 1/20 0.48
DRD1 P21728 2/20 0.48
HRH3 Q9Y5N1 1/20 0.47
HTR6 P50406 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
SCHEMBL9526815 0.93 HTR1A (0.47) POLBKCNH2HTR7HTR1A
SCHEMBL9526962 0.85 KAT2B (0.57) POLBKCNH2SLC6A4DRD3HTR7
SCHEMBL9527503 0.83 ADRA1A (0.57) DRD3HTR7HTR1ADRD2
SCHEMBL9529034 0.82 ADRA1A (0.56) DRD3HTR7HTR1AHTR2ADRD2
SCHEMBL9531299 0.80 ADRA1A (0.69) SLC6A4DRD3HTR7HTR1AHTR2A
SCHEMBL9528837 0.79 DRD2 (0.48) HTR7HTR1AHTR2ADRD2HTR2C
SCHEMBL9528982 0.79 POLB (0.52) POLBKCNH2SLC6A4DRD3HTR7
SCHEMBL9532001 0.79 KAT2B (0.59) DRD3HTR7HTR1AHTR2ADRD2
SCHEMBL9528344 0.78 ADRA1D (0.48) KCNH2HTR7HTR1AHTR2ADRD2
SCHEMBL9527073 0.77 HTR1A (0.65) DRD3HTR7HTR1AHTR2ADRD2

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
EP-0372305-B1 PIPERAZINYLALKYL-3(2H)-PYRIDAZINONES, METHOD FOR THEIR PREPARATION AND THEIR USE AS ANTIHYPERTENSIVE AGENTS Hafslund Nycomed Pharma Aktiengesellschaft (AT) 1993-08-04 EP 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
EP-0372305-A1 Piperazinylalkyl-3(2H)-pyridazinones, method for their preparation and their use as antihypertensive agents Hafslund Nycomed Pharma Aktiengesellschaft (AT) 1990-06-13 EP disclosed