SCHEMBL9529080

SCHEMBL9529080

Cn1ncc(NCCN2CCN(c3ccccn3)CC2)cc1=O

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.48
DRD4 P21917 2/20 0.48
DRD2 P14416 3/20 0.48
DRD3 P35462 3/20 0.48
HTR1A P08908 4/20 0.46
HTR2A P28223 3/20 0.46
HTR2C P28335 2/20 0.46
HTR7 P34969 1/20 0.46
KCNH2 Q12809 2/20 0.46
ALDH1A1 P00352 1/20 0.45

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
SCHEMBL9528982 0.94 POLB (0.52) POLBDRD4DRD2DRD3HTR1A
SCHEMBL9527520 0.84 HTR7 (0.55) DRD2HTR1AHTR7KCNH2
SCHEMBL5926121 0.81 HTR1A (0.46) POLBDRD4DRD2DRD3HTR1A
SCHEMBL9527885 0.81 ADRA1B (0.49) DRD2DRD3HTR1AHTR7
SCHEMBL9528180 0.80 ADRA1B (0.46) POLBDRD2DRD3HTR1AHTR2C
SCHEMBL9527068 0.80 HTR7 (0.40) HTR1AHTR2AHTR2CHTR7ALDH1A1
SCHEMBL9526846 0.79 ADRA1D (0.56) DRD4DRD2DRD3HTR1AHTR7
SCHEMBL9527896 0.79 HTR1A (0.62) DRD4DRD2DRD3HTR1AHTR2A
SCHEMBL9532001 0.79 KAT2B (0.59) DRD4DRD2DRD3HTR1AHTR2A
SCHEMBL9528850 0.79 BPTF (0.49) POLBDRD4DRD2DRD3HTR1A

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