SCHEMBL7370213

SCHEMBL7370213

COc1ccc(CNOC=C=O)cc1N1CCN(Cc2ccc(Cl)cc2)CC1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.44
DRD2 P14416 3/20 0.44
DRD4 P21917 2/20 0.44
DRD3 P35462 2/20 0.44
HTR7 P34969 3/20 0.43
KDM4E B2RXH2 3/20 0.43
ALDH1A1 P00352 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
MAPT P10636 1/20 0.43
ACHE P22303 1/20 0.42
BACE1 P56817 1/20 0.42
NPC1 O15118 1/20 0.42
HRH2 P25021 1/20 0.42
HRH1 P35367 1/20 0.42
USP2 O75604 1/20 0.41
LMNA P02545 1/20 0.41
THRB P10828 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
SCHEMBL7370433 0.92 MAPK1 (0.49) MAPK1DRD2DRD4DRD3HTR7
SCHEMBL7369955 0.91 MAPK1 (0.46) MAPK1DRD2DRD4DRD3HTR7
SCHEMBL7366955 0.85 HTR6 (0.43) DRD2DRD3HTR7KDM4EALDH1A1
SCHEMBL7373267 0.81 HTR1A (0.42) DRD2DRD3HTR7ACHENPC1
SCHEMBL8545720 0.78 MAPK1 (0.46) MAPK1DRD4ALDH1A1SMN1; SMN2MAPT
SCHEMBL7373095 0.77 MAPK1 (0.46) MAPK1DRD2DRD4DRD3HTR7
SCHEMBL7368917 0.76 KDM4E (0.42) MAPK1DRD2DRD4DRD3HTR7
SCHEMBL7372515 0.75 MAPK1 (0.44) MAPK1DRD2DRD4DRD3HTR7
SCHEMBL8485597 0.72 MAPK1 (0.52) MAPK1DRD2DRD4DRD3HTR7
SCHEMBL6031061 0.72 MAPK1 (0.80) MAPK1DRD2DRD4DRD3HTR7

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-0706517-B1 PYRIDAZINONE DERIVATIVES WITH PHARMACEUTICAL ACTIVITY NISSAN CHEMICAL IND LTD (JP) 1998-10-21 EP 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