SCHEMBL8485597

SCHEMBL8485597

CCCONCc1ccc(OC)c(N2CCN(Cc3ccccc3)CC2)c1

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.52
DRD4 P21917 5/20 0.51
HTR7 P34969 3/20 0.51
DRD2 P14416 5/20 0.49
DRD3 P35462 4/20 0.49
KDM4E B2RXH2 1/20 0.49
ALDH1A1 P00352 1/20 0.49
KMT2A Q03164 1/20 0.49
UTS2R Q9UKP6 1/20 0.46

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
SCHEMBL7373095 0.85 MAPK1 (0.46) MAPK1DRD4HTR7DRD2DRD3
SCHEMBL8487873 0.84 DRD2 (0.46) DRD4HTR7DRD2DRD3KDM4E
SCHEMBL7372515 0.83 MAPK1 (0.44) MAPK1DRD4HTR7DRD2DRD3
SCHEMBL8487281 0.83 GAA (0.39) MAPK1DRD4HTR7DRD2DRD3
SCHEMBL7370433 0.81 MAPK1 (0.49) MAPK1DRD4HTR7DRD2DRD3
SCHEMBL8488458 0.77 MAPK1 (0.58) MAPK1DRD4HTR7DRD2DRD3
SCHEMBL9228414 0.77 DRD4 (0.62) MAPK1DRD4HTR7DRD2DRD3
SCHEMBL7031376 0.76 DRD4 (0.60) MAPK1DRD4HTR7DRD2DRD3
SCHEMBL9225440 0.75 MAPK1 (0.81) MAPK1DRD4HTR7DRD2DRD3
SCHEMBL7370213 0.72 MAPK1 (0.44) MAPK1DRD4HTR7DRD2DRD3

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 2 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
US-5728702-A BRONCHODILATOR AGENTS, ANTIALLERGENS OR ANTIPLATELET DRUGGS NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 1998-03-17 US disclosed