SCHEMBL9526985

SCHEMBL9526985

COc1ccccc1N1CCN(CCCCNc2cc(Cl)nnc2Cl)CC1

nearest known ligand 0.61

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 13/20 0.61
DRD2 P14416 7/20 0.61
ADRA1A P35348 4/20 0.61
HTR2A P28223 3/20 0.61
HTR7 P34969 3/20 0.61
HTR6 P50406 3/20 0.61
DRD3 P35462 3/20 0.61
HRH4 Q9H3N8 1/20 0.56
ADRA1D P25100 1/20 0.55
ADRA1B P35368 1/20 0.55

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
SCHEMBL9527917 0.91 HTR1A (0.60) HTR1ADRD2ADRA1AHTR2AHTR7
SCHEMBL9527778 0.83 HTR1A (0.58) HTR1ADRD2ADRA1AHTR2AHTR7
SCHEMBL8135869 0.81 HTR1A (0.68) HTR1ADRD2ADRA1AHTR2AHTR7
SCHEMBL9528269 0.80 HTR1A (0.61) HTR1ADRD2ADRA1AHTR2AHTR7
SCHEMBL9528063 0.80 ADRA1A (0.77) HTR1ADRD2ADRA1AHTR2AHTR7
SCHEMBL8130109 0.80 DRD2 (0.64) HTR1ADRD2ADRA1AHTR2AHTR7
SCHEMBL8130173 0.79 DRD2 (0.71) HTR1ADRD2ADRA1AHTR2AHTR7
SCHEMBL9526817 0.79 ADRA1A (0.63) HTR1ADRD2ADRA1AHTR2ADRD3
SCHEMBL9528449 0.78 ADRA1A (0.65) HTR1ADRD2ADRA1AHTR2AHTR7
SCHEMBL9527827 0.78 HTR1A (0.60) HTR1ADRD2ADRA1AHTR2AHTR7

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