SCHEMBL7372124

SCHEMBL7372124

COc1ccc(CNOCCC=C=O)cc1N1CCN(C)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 15/20 0.43
HTR1A P08908 5/20 0.41
HTR1D P28221 5/20 0.41
HTR1B P28222 5/20 0.41
DRD2 P14416 2/20 0.41
DRD3 P35462 2/20 0.41
HTR2A P28223 2/20 0.41
HTR2C P28335 2/20 0.41
HTR7 P34969 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
HTR1E P28566 1/20 0.41
HTR1F P30939 1/20 0.41
CYP2C19 P33261 1/20 0.41
ADRA1B P35368 1/20 0.41
HTR2B P41595 1/20 0.41
HTR4 Q13639 1/20 0.41
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41

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
SCHEMBL7373095 0.86 MAPK1 (0.46) DRD2DRD3HTR7KDM4EPOLB
SCHEMBL8487873 0.83 DRD2 (0.46) HTR6HTR1AHTR1DHTR1BDRD2
SCHEMBL7366955 0.83 HTR6 (0.43) HTR6HTR1AHTR1DHTR1BDRD2
SCHEMBL7372515 0.80 MAPK1 (0.44) DRD2DRD3HTR7POLB
SCHEMBL8487281 0.75 GAA (0.39) HTR6HTR1ADRD2DRD3HTR7
SCHEMBL8485597 0.69 MAPK1 (0.52) DRD2DRD3HTR7KDM4EALDH1A1
SCHEMBL7370433 0.69 MAPK1 (0.49) DRD2DRD3HTR7KDM4EALDH1A1
SCHEMBL7370213 0.69 MAPK1 (0.44) DRD2DRD3HTR7KDM4EALDH1A1
SCHEMBL7369955 0.69 MAPK1 (0.46) HTR6HTR1ADRD2DRD3HTR2A
SCHEMBL6187875 0.66 HTR6 (0.56) HTR6HTR1AHTR1DHTR1BDRD2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5929074-A VSODILATOR, ANTIALLERGIC AND ANTIPLATELET AGENTS NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 1999-07-27 US disclosed
EP-0706517-B1 PYRIDAZINONE DERIVATIVES WITH PHARMACEUTICAL ACTIVITY NISSAN CHEMICAL IND LTD (JP) 1998-10-21 EP disclosed
US-5728702-A BRONCHODILATOR AGENTS, ANTIALLERGENS OR ANTIPLATELET DRUGGS NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 1998-03-17 US disclosed
WO-1995001343-A1 PYRIDAZINONE DERIVATIVES WITH PHARMACEUTICAL ACTIVITY NISSAN CHEMICAL INDUSTRIES LTD. (JP) 1995-01-12 WO disclosed