SCHEMBL9526962

SCHEMBL9526962

Cn1ncc(NCCCN2CCN(c3ccccn3)CC2)c(Cl)c1=O

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KAT2B Q92831 4/20 0.57
BRD4 O60885 2/20 0.49
BRD9 Q9H8M2 1/20 0.49
POLB P06746 1/20 0.47
KCNH2 Q12809 1/20 0.47
DRD3 P35462 4/20 0.47
HTR1A P08908 3/20 0.47
HTR2A P28223 3/20 0.47
DRD2 P14416 2/20 0.47
HTR2C P28335 2/20 0.47
SLC6A4 P31645 2/20 0.46
HTR7 P34969 1/20 0.46
DRD1 P21728 2/20 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
SCHEMBL9532001 0.94 KAT2B (0.59) KAT2BBRD4BRD9DRD3HTR1A
SCHEMBL9528237 0.85 POLB (0.51) POLBKCNH2DRD3HTR1AHTR2A
SCHEMBL9528713 0.83 BRD4 (0.55) KAT2BBRD4BRD9DRD3HTR1A
SCHEMBL9528374 0.82 DRD2 (0.58) KAT2BBRD4BRD9DRD3HTR1A
SCHEMBL9527001 0.80 ADRA1A (0.63) DRD3HTR1ADRD2SLC6A4
SCHEMBL9528982 0.80 POLB (0.52) POLBKCNH2DRD3HTR1AHTR2A
SCHEMBL9528850 0.80 BPTF (0.49) KAT2BPOLBDRD3HTR1AHTR2A
SCHEMBL9527777 0.80 KAT2B (0.57) KAT2BBRD4BRD9DRD3HTR1A
SCHEMBL9526815 0.79 HTR1A (0.47) POLBKCNH2HTR1AHTR7
SCHEMBL9531572 0.79 KAT2B (0.58) KAT2BBRD4BRD9HTR2ADRD2

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