SCHEMBL9528344

SCHEMBL9528344

Cn1nccc(NCCN2CCN(c3ccccc3)CC2)c1=O

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ADRA1D P25100 5/20 0.48
ADRA1A P35348 5/20 0.48
ADRA1B P35368 5/20 0.48
HTR1A P08908 5/20 0.48
HTR7 P34969 1/20 0.47
DRD2 P14416 1/20 0.47
SIGMAR1 Q99720 1/20 0.47
HTR2A P28223 1/20 0.46
GFER P55789 1/20 0.46
KCNH2 Q12809 1/20 0.44
KMT2A Q03164 2/20 0.44
EHMT2 Q96KQ7 1/20 0.44
MEN1 O00255 1/20 0.44
SMN1; SMN2 Q16637 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
SCHEMBL9527037 0.88 DRD2 (0.49) ADRA1DADRA1AADRA1BHTR1ADRD2
SCHEMBL9526989 0.85 ADRA1A (0.55) ADRA1DADRA1AADRA1BHTR1AHTR7
SCHEMBL9526815 0.85 HTR1A (0.47) ADRA1DADRA1AADRA1BHTR1AHTR7
SCHEMBL9527138 0.84 ATM (0.54) ADRA1AHTR7DRD2SIGMAR1
SCHEMBL9527118 0.84 HTR1A (0.52) ADRA1DADRA1AADRA1BHTR1AHTR7
SCHEMBL9527377 0.84 ADRA1A (0.54) ADRA1DADRA1AADRA1BHTR1ADRD2
SCHEMBL9528427 0.83 HTR1A (0.46) ADRA1DADRA1AADRA1BHTR1AHTR7
SCHEMBL9531572 0.82 KAT2B (0.58) ADRA1DADRA1AADRA1BDRD2HTR2A
SCHEMBL9528533 0.82 ADRA1A (0.71) ADRA1DADRA1AADRA1BHTR1ADRD2
SCHEMBL9528837 0.81 DRD2 (0.48) HTR1AHTR7DRD2HTR2ASMN1; SMN2

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