SCHEMBL7367424

SCHEMBL7367424

COc1ccc(CN(OC=C=O)C(=O)OCc2ccccc2)cc1N1CCN(C)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 13/20 0.42
HTR1B P28222 13/20 0.42
HTR1D P28221 12/20 0.42
HTR2C P28335 6/20 0.41
HTR6 P50406 5/20 0.41
HTR2A P28223 4/20 0.41
HTR7 P34969 2/20 0.41
TMEM97 Q5BJF2 2/20 0.40
SIGMAR1 Q99720 2/20 0.40
ADRA2A P08913 1/20 0.40
ADRA2B P18089 1/20 0.40
ADRA2C P18825 1/20 0.40
DRD1 P21728 1/20 0.40
HRH2 P25021 1/20 0.40
HTR1E P28566 1/20 0.40
SLC6A4 P31645 1/20 0.40
HRH1 P35367 1/20 0.40
HTR2B P41595 1/20 0.40
HRH3 Q9Y5N1 1/20 0.40
DRD2 P14416 1/20 0.40

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
SCHEMBL7373473 0.92 HTR7 (0.45) HTR7DRD2DRD3
SCHEMBL8489110 0.88 MAPK1 (0.51) HTR1AHTR2AHTR7ADRA2ADRD1
SCHEMBL8488822 0.86 DRD2 (0.43) HTR7DRD2DRD3
SCHEMBL7370150 0.79 ACHE (0.41) SLC6A4
SCHEMBL7370826 0.79 HTR7 (0.43) HTR7DRD2DRD3
SCHEMBL7377179 0.77 HTR7 (0.41) HTR7DRD2DRD3
SCHEMBL7368917 0.76 KDM4E (0.42) HTR7DRD2DRD3
SCHEMBL8541317 0.74 DRD2 (0.41) HTR7DRD2DRD3
SCHEMBL8491631 0.73 MAPK1 (0.51) HTR7DRD2DRD3
SCHEMBL8487210 0.73 HTR7 (0.44) HTR1AHTR7DRD2DRD3

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 5 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
EP-0706517-A1 PYRIDAZINONE DERIVATIVES WITH PHARMACEUTICAL ACTIVITY NISSAN CHEMICAL INDUSTRIES, LIMITED (JP) 1996-04-17 EP disclosed
WO-1995001343-A1 PYRIDAZINONE DERIVATIVES WITH PHARMACEUTICAL ACTIVITY NISSAN CHEMICAL INDUSTRIES LTD. (JP) 1995-01-12 WO disclosed