SCHEMBL9527740

SCHEMBL9527740

COc1ccccc1N1CCN(CCCCNc2ccn[nH]c2=O)CC1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 10/20 0.64
ADRA1A P35348 6/20 0.64
DRD3 P35462 6/20 0.64
HTR1A P08908 8/20 0.61
HTR7 P34969 4/20 0.61
HTR2A P28223 3/20 0.61
HTR6 P50406 3/20 0.61
HRH4 Q9H3N8 1/20 0.59
ADRA1D P25100 2/20 0.58
ADRA1B P35368 2/20 0.58
CYP2C9 P11712 2/20 0.56
CYP2C19 P33261 2/20 0.56
MEN1 O00255 1/20 0.56
CYP1A2 P05177 1/20 0.56
KMT2A Q03164 1/20 0.56
DRD4 P21917 2/20 0.56
CYP3A4 P08684 2/20 0.56
ADRA2A P08913 2/20 0.56
ADRA2B P18089 2/20 0.56
ADRA2C P18825 2/20 0.56

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
SCHEMBL9528402 0.97 HTR1A (0.61) DRD2ADRA1ADRD3HTR1AHTR7
SCHEMBL9527044 0.93 HTR1A (0.63) DRD2ADRA1ADRD3HTR1AADRA1D
SCHEMBL9527347 0.87 HTR1A (0.52) DRD2ADRA1ADRD3HTR1AHTR7
SCHEMBL9527073 0.84 HTR1A (0.65) DRD2ADRA1ADRD3HTR1AHTR7
SCHEMBL9527778 0.83 HTR1A (0.58) DRD2ADRA1ADRD3HTR1AHTR7
SCHEMBL9527049 0.83 HTR1A (0.64) DRD2ADRA1ADRD3HTR1AHTR7
SCHEMBL9531299 0.81 ADRA1A (0.69) DRD2ADRA1ADRD3HTR1AHTR7
SCHEMBL9528269 0.80 HTR1A (0.61) DRD2ADRA1ADRD3HTR1AHTR7
SCHEMBL8130173 0.79 DRD2 (0.71) DRD2ADRA1ADRD3HTR1AHTR7
SCHEMBL14761657 0.79 DRD2 (0.62) DRD2ADRA1ADRD3HTR1AHTR7

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