SCHEMBL7370433

SCHEMBL7370433

COc1ccc(CNOC=C=O)cc1N1CCN(Cc2ccccc2)CC1

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.49
HTR7 P34969 3/20 0.48
DRD4 P21917 2/20 0.48
UTS2R Q9UKP6 1/20 0.46
DRD2 P14416 4/20 0.46
POLB P06746 1/20 0.46
DRD3 P35462 3/20 0.46
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
KMT2A Q03164 1/20 0.44

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
SCHEMBL7370213 0.92 MAPK1 (0.44) MAPK1HTR7DRD4DRD2DRD3
SCHEMBL7369955 0.91 MAPK1 (0.46) MAPK1HTR7DRD4DRD2POLB
SCHEMBL7366955 0.85 HTR6 (0.43) HTR7DRD2POLBDRD3KDM4E
SCHEMBL7373267 0.85 HTR1A (0.42) HTR7DRD2DRD3KMT2A
SCHEMBL7373095 0.85 MAPK1 (0.46) MAPK1HTR7DRD4UTS2RDRD2
SCHEMBL7372515 0.82 MAPK1 (0.44) MAPK1HTR7DRD4UTS2RDRD2
SCHEMBL8545720 0.81 MAPK1 (0.46) MAPK1DRD4ALDH1A1KMT2A
SCHEMBL8485597 0.81 MAPK1 (0.52) MAPK1HTR7DRD4UTS2RDRD2
SCHEMBL7373473 0.76 HTR7 (0.45) MAPK1HTR7DRD4UTS2RDRD2
SCHEMBL9228414 0.74 DRD4 (0.62) MAPK1HTR7DRD4DRD2POLB

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