SCHEMBL9527664

SCHEMBL9527664

CCOc1ccccc1N1CCN(CCNc2ccnn(C)c2=O)CC1

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 8/20 0.58
ADRA1B P35368 7/20 0.58
ADRA1D P25100 6/20 0.58
ADRA1A P35348 6/20 0.58
HTR7 P34969 4/20 0.52
DRD2 P14416 1/20 0.48
DRD4 P21917 1/20 0.48
DRD3 P35462 1/20 0.48
KDM4E B2RXH2 1/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47

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
SCHEMBL9528533 0.90 ADRA1A (0.71) HTR1AADRA1BADRA1DADRA1ADRD2
SCHEMBL27263976 0.88 HTR1A (0.51) HTR1AADRA1BADRA1DADRA1AHTR7
SCHEMBL9526946 0.85 HTR1A (0.53) HTR1AADRA1BADRA1DADRA1AHTR7
SCHEMBL9526989 0.84 ADRA1A (0.55) HTR1AADRA1BADRA1DADRA1AHTR7
SCHEMBL9531299 0.84 ADRA1A (0.69) HTR1AADRA1BADRA1DADRA1AHTR7
SCHEMBL9527118 0.83 HTR1A (0.52) HTR1AADRA1BADRA1DADRA1AHTR7
SCHEMBL9527377 0.83 ADRA1A (0.54) HTR1AADRA1BADRA1DADRA1ADRD2
SCHEMBL9527073 0.83 HTR1A (0.65) HTR1AADRA1BADRA1DADRA1AHTR7
SCHEMBL9527049 0.82 HTR1A (0.64) HTR1AADRA1BADRA1DADRA1AHTR7
SCHEMBL9531150 0.82 ADRA1B (0.48) HTR1AADRA1BADRA1DADRA1AHTR7

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