SCHEMBL9528850

SCHEMBL9528850

Cn1ncc(Cl)c(NCCN2CCN(c3ccccn3)CC2)c1=O

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BPTF Q12830 1/20 0.49
DRD4 P21917 5/20 0.48
HTR1A P08908 3/20 0.48
DRD2 P14416 1/20 0.48
HTR2A P28223 1/20 0.48
HTR2C P28335 1/20 0.48
HTR7 P34969 1/20 0.48
DRD3 P35462 1/20 0.48
KAT2B Q92831 1/20 0.47
ADRA1D P25100 2/20 0.46
ADRA1A P35348 2/20 0.46
ADRA1B P35368 2/20 0.46
KMT2A Q03164 1/20 0.45
POLB P06746 1/20 0.44

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 0.85 KAT2B (0.59) BPTFDRD4HTR1ADRD2HTR2A
SCHEMBL9527024 0.85 BPTF (0.53) BPTFHTR1ADRD2HTR2AHTR7
SCHEMBL9531556 0.82 ADRA1A (0.53) BPTFHTR1ADRD2HTR7DRD3
SCHEMBL9528841 0.81 ADRA1B (0.55) BPTFHTR1AADRA1DADRA1AADRA1B
SCHEMBL9528184 0.81 ADRA1A (0.58) BPTFHTR1ADRD2HTR2ADRD3
SCHEMBL9527111 0.81 BPTF (0.51) BPTFHTR1AHTR7KAT2BADRA1D
SCHEMBL9526815 0.81 HTR1A (0.47) DRD4HTR1AHTR7ADRA1DADRA1A
SCHEMBL9527290 0.80 KCNH2 (0.51) BPTFDRD4DRD2KMT2A
SCHEMBL9526962 0.80 KAT2B (0.57) HTR1ADRD2HTR2AHTR2CHTR7
SCHEMBL9526736 0.80 ADRA1A (0.62) DRD4HTR1ADRD2ADRA1DADRA1A

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