SCHEMBL9527503

SCHEMBL9527503

Cc1ccccc1N1CCN(CCCNc2ccnn(C)c2=O)CC1

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ADRA1A P35348 7/20 0.57
DRD2 P14416 2/20 0.57
DRD3 P35462 2/20 0.57
ADRA1B P35368 6/20 0.52
ADRA1D P25100 5/20 0.52
HTR1A P08908 3/20 0.52
BRD4 O60885 1/20 0.49
BRD9 Q9H8M2 1/20 0.49
CYP3A4 P08684 1/20 0.47
ADRA2A P08913 1/20 0.47
ADRA2B P18089 1/20 0.47
ADRA2C P18825 1/20 0.47
PMP22 Q01453 1/20 0.47
HIF1A Q16665 1/20 0.47
HTR7 P34969 2/20 0.46
GSK3B P49841 1/20 0.46

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
SCHEMBL9526989 0.93 ADRA1A (0.55) ADRA1ADRD2DRD3ADRA1BADRA1D
SCHEMBL9529034 0.88 ADRA1A (0.56) ADRA1ADRD2DRD3ADRA1BADRA1D
SCHEMBL9531299 0.86 ADRA1A (0.69) ADRA1ADRD2DRD3ADRA1BADRA1D
SCHEMBL9528713 0.84 BRD4 (0.55) ADRA1ADRD2DRD3ADRA1BADRA1D
SCHEMBL9527073 0.83 HTR1A (0.65) ADRA1ADRD2DRD3ADRA1BADRA1D
SCHEMBL9528237 0.83 POLB (0.51) DRD2DRD3HTR1AHTR7
SCHEMBL9527049 0.83 HTR1A (0.64) ADRA1ADRD2DRD3ADRA1BADRA1D
SCHEMBL9527118 0.81 HTR1A (0.52) ADRA1AADRA1BADRA1DHTR1ABRD4
SCHEMBL9527377 0.81 ADRA1A (0.54) ADRA1ADRD2DRD3ADRA1BADRA1D
SCHEMBL9527760 0.81 ADRA1B (0.44) ADRA1ADRD2DRD3ADRA1BADRA1D

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