SCHEMBL9526993

SCHEMBL9526993

Cn1ncc(Cl)c(NCCN2CCN(c3ccccc3OCc3ccccc3)CC2)c1=O

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ADRA1D P25100 13/20 0.49
ADRA1A P35348 13/20 0.49
ADRA1B P35368 13/20 0.49
HTR1A P08908 12/20 0.49
BCHE P06276 1/20 0.46
ACHE P22303 1/20 0.46
HTR6 P50406 1/20 0.46
HTR1B P28222 1/20 0.44
BPTF Q12830 1/20 0.43
DRD2 P14416 1/20 0.43
DRD4 P21917 1/20 0.43
DRD3 P35462 1/20 0.43

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
SCHEMBL9526736 0.88 ADRA1A (0.62) ADRA1DADRA1AADRA1BHTR1ADRD2
SCHEMBL9527491 0.87 KAT2B (0.53) ADRA1DADRA1AADRA1BHTR1AHTR1B
SCHEMBL9531556 0.83 ADRA1A (0.53) ADRA1DADRA1AADRA1BHTR1ABPTF
SCHEMBL9526823 0.82 HTR1A (0.64) ADRA1DADRA1AADRA1BHTR1AHTR6
SCHEMBL27263986 0.82 HTR1A (0.43) ADRA1DADRA1AADRA1BHTR1ABCHE
SCHEMBL27263416 0.82 HTR1A (0.47) ADRA1DADRA1AADRA1BHTR1A
SCHEMBL9528184 0.82 ADRA1A (0.58) ADRA1DADRA1AADRA1BHTR1ABPTF
SCHEMBL9528841 0.82 ADRA1B (0.55) ADRA1DADRA1AADRA1BHTR1ABPTF
SCHEMBL9527725 0.81 HTR1A (0.60) ADRA1DADRA1AADRA1BHTR1AHTR6
SCHEMBL9527024 0.81 BPTF (0.53) ADRA1DADRA1AADRA1BHTR1ABPTF

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