SCHEMBL16144703

SCHEMBL16144703

COc1ccc(CN2CCN(c3ccccc3OC)CC2)cc1-c1cccc(Cl)c1

nearest known ligand 0.74

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 9/20 0.74
PDE4B Q07343 1/20 0.70
DRD4 P21917 3/20 0.65
MAPK1 P28482 1/20 0.61
KDM4E B2RXH2 2/20 0.58
MAPT P10636 1/20 0.58
ALDH1A1 P00352 1/20 0.57
KMT2A Q03164 1/20 0.57
DRD2 P14416 3/20 0.57
DRD3 P35462 2/20 0.57

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
SCHEMBL16144706 0.94 PDE4B (0.70) HTR7PDE4BDRD4MAPK1KDM4E
SCHEMBL16282481 0.88 HTR7 (0.74) HTR7DRD4MAPK1KDM4EALDH1A1
SCHEMBL15938696 0.85 HTR7 (1.00) HTR7DRD4KDM4EMAPTDRD2
SCHEMBL15937972 0.84 HTR7 (1.00) HTR7DRD4MAPK1DRD2DRD3
SCHEMBL15938805 0.83 HTR7 (0.83) HTR7DRD4MAPK1KDM4EMAPT
SCHEMBL6031061 0.81 MAPK1 (0.80) HTR7DRD4MAPK1KDM4EMAPT
SCHEMBL16281852 0.81 HTR7 (0.74) HTR7DRD4MAPK1KDM4EALDH1A1
SCHEMBL16282478 0.81 HTR7 (0.63) HTR7PDE4BDRD4KDM4EMAPT
SCHEMBL7991732 0.79 DRD4 (1.00) HTR7DRD4MAPK1KDM4EALDH1A1
SCHEMBL15937822 0.79 HTR7 (0.85) HTR7DRD4MAPK1KDM4EALDH1A1

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
EP-2784068-B1 PHOSPHODIESTERASE 4 INHIBITOR CAPABLE OF AVOIDING VOMITING XU JIANGPING (CN) 2015-10-21 EP disclosed
EP-2784068-A1 PHOSPHODIESTERASE 4 INHIBITOR CAPABLE OF AVOIDING VOMITING Xu, Jiangping (CN) 2014-10-01 EP disclosed