SCHEMBL7369955

SCHEMBL7369955

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

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.46
HTR7 P34969 5/20 0.45
DRD2 P14416 5/20 0.43
DRD3 P35462 3/20 0.42
DRD4 P21917 3/20 0.42
KDM4E B2RXH2 3/20 0.41
ALDH1A1 P00352 2/20 0.41
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
ALOX15 P16050 1/20 0.40
TSHR P16473 1/20 0.40
HTR1A P08908 1/20 0.39
HTR2A P28223 1/20 0.39
HTR6 P50406 1/20 0.39
POLB P06746 1/20 0.39

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 0.91 MAPK1 (0.49) MAPK1HTR7DRD2DRD3DRD4
SCHEMBL7370213 0.91 MAPK1 (0.44) MAPK1HTR7DRD2DRD3DRD4
SCHEMBL7366955 0.84 HTR6 (0.43) HTR7DRD2DRD3KDM4EALDH1A1
SCHEMBL7373267 0.80 HTR1A (0.42) HTR7DRD2DRD3KMT2AHTR1A
SCHEMBL8545720 0.77 MAPK1 (0.46) MAPK1DRD4ALDH1A1KMT2ASMN1; SMN2
SCHEMBL7373095 0.76 MAPK1 (0.46) MAPK1HTR7DRD2DRD3DRD4
SCHEMBL7372515 0.74 MAPK1 (0.44) MAPK1HTR7DRD2DRD3DRD4
SCHEMBL19561754 0.73 MAPK1 (0.80) MAPK1HTR7DRD2DRD3DRD4
SCHEMBL7031376 0.73 DRD4 (0.60) MAPK1HTR7DRD2DRD3DRD4
SCHEMBL8485597 0.71 MAPK1 (0.52) MAPK1HTR7DRD2DRD3DRD4

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