SCHEMBL9528374

SCHEMBL9528374

Cn1ncc(NCCCN2CCN(c3ccccc3F)CC2)c(Cl)c1=O

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 4/20 0.58
HTR2A P28223 3/20 0.58
HRH1 P35367 1/20 0.58
BRD4 O60885 4/20 0.53
BRD9 Q9H8M2 2/20 0.53
ADRA1A P35348 5/20 0.51
DRD3 P35462 3/20 0.51
KAT2B Q92831 4/20 0.49
TSHR P16473 1/20 0.48
HTR1A P08908 2/20 0.47
ADRA1D P25100 2/20 0.47
ADRA1B P35368 2/20 0.47
HTR7 P34969 1/20 0.46
CACNA1G O43497 1/20 0.46
LMNA P02545 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
HTR2C P28335 2/20 0.46
SLC6A4 P31645 2/20 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
SCHEMBL9527005 0.94 ADRA1A (0.52) DRD2HTR2AHRH1BRD4BRD9
SCHEMBL9528713 0.89 BRD4 (0.55) DRD2BRD4BRD9ADRA1ADRD3
SCHEMBL9527001 0.86 ADRA1A (0.63) DRD2HRH1ADRA1ADRD3TSHR
SCHEMBL9531508 0.86 DRD2 (0.58) DRD2HTR2AHRH1BRD4BRD9
SCHEMBL9529034 0.85 ADRA1A (0.56) DRD2HTR2AHRH1BRD4BRD9
SCHEMBL9527777 0.84 KAT2B (0.57) DRD2HTR2AHRH1BRD4BRD9
SCHEMBL9527827 0.83 HTR1A (0.60) DRD2HTR2AHRH1ADRA1ADRD3
SCHEMBL9528918 0.83 HTR1A (0.59) DRD2HTR2AHRH1ADRA1ADRD3
SCHEMBL9527047 0.82 BRD4 (0.57) DRD2BRD4BRD9ADRA1ADRD3
SCHEMBL9526962 0.82 KAT2B (0.57) DRD2HTR2ABRD4BRD9DRD3

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