SCHEMBL9529034

SCHEMBL9529034

Cn1nccc(NCCCN2CCN(c3ccccc3F)CC2)c1=O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA1A P35348 5/20 0.56
DRD2 P14416 4/20 0.56
DRD3 P35462 3/20 0.56
HTR2A P28223 1/20 0.53
HRH1 P35367 1/20 0.53
HTR1A P08908 2/20 0.51
ADRA1D P25100 2/20 0.51
ADRA1B P35368 2/20 0.51
TSHR P16473 2/20 0.50
ALDH1A1 P00352 3/20 0.49
KDM4E B2RXH2 1/20 0.49
HPGD P15428 1/20 0.49
BRD4 O60885 1/20 0.48
BRD9 Q9H8M2 1/20 0.48
HTR7 P34969 1/20 0.48
LMNA P02545 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
GAA P10253 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
CYP1A2 P05177 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
SCHEMBL9527377 0.94 ADRA1A (0.54) ADRA1ADRD2DRD3HTR2AHRH1
SCHEMBL9527503 0.88 ADRA1A (0.57) ADRA1ADRD2DRD3HTR1AADRA1D
SCHEMBL9531299 0.85 ADRA1A (0.69) ADRA1ADRD2DRD3HTR2AHRH1
SCHEMBL9528374 0.85 DRD2 (0.58) ADRA1ADRD2DRD3HTR2AHRH1
SCHEMBL9528837 0.83 DRD2 (0.48) DRD2HTR2AHRH1HTR1ATSHR
SCHEMBL9527073 0.82 HTR1A (0.65) ADRA1ADRD2DRD3HTR2AHTR1A
SCHEMBL9528237 0.82 POLB (0.51) DRD2DRD3HTR2AHTR1AHTR7
SCHEMBL9527049 0.82 HTR1A (0.64) ADRA1ADRD2DRD3HTR2AHTR1A
SCHEMBL9526989 0.81 ADRA1A (0.55) ADRA1ADRD2DRD3HTR1AADRA1D
SCHEMBL9527118 0.81 HTR1A (0.52) ADRA1AHTR1AADRA1DADRA1BBRD4

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