SCHEMBL7368917

SCHEMBL7368917

COc1ccc(CN(OC=C=O)C(=O)OC(C)(C)C)cc1N1CCN(Cc2ccc(Cl)cc2)CC1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.42
ALDH1A1 P00352 3/20 0.42
DRD2 P14416 2/20 0.40
DRD4 P21917 2/20 0.40
DRD3 P35462 1/20 0.39
HTR7 P34969 3/20 0.38
MAPK1 P28482 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
LMNA P02545 2/20 0.38
MAPT P10636 1/20 0.38
USP2 O75604 1/20 0.38
KMT2A Q03164 1/20 0.38
ACHE P22303 1/20 0.37
BACE1 P56817 1/20 0.37

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 0.84 HTR7 (0.45) KDM4EALDH1A1DRD2DRD4DRD3
SCHEMBL8489110 0.80 MAPK1 (0.51) ALDH1A1DRD2DRD4DRD3HTR7
SCHEMBL7370150 0.80 ACHE (0.41) KMT2AACHE
SCHEMBL8488822 0.77 DRD2 (0.43) KDM4EALDH1A1DRD2DRD4DRD3
SCHEMBL7370213 0.76 MAPK1 (0.44) KDM4EALDH1A1DRD2DRD4DRD3
SCHEMBL7367424 0.76 HTR1A (0.42) DRD2DRD3HTR7
SCHEMBL7370826 0.71 HTR7 (0.43) KDM4EALDH1A1DRD2DRD4DRD3
SCHEMBL7377179 0.69 HTR7 (0.41) KDM4EALDH1A1DRD2DRD4DRD3
SCHEMBL7374230 0.69 ALDH1A1 (0.50) ALDH1A1DRD2DRD4DRD3HTR7
SCHEMBL7370433 0.68 MAPK1 (0.49) KDM4EALDH1A1DRD2DRD4DRD3

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