SCHEMBL6239250

SCHEMBL6239250

CN(C)C(=O)Oc1cc2c(OCC(O)CN3CCC(c4cccc5ccccc45)CC3)cccc2s1

nearest known ligand 0.50

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 13/20 0.50
SLC6A4 P31645 4/20 0.50
DRD4 P21917 6/20 0.47
DRD2 P14416 2/20 0.47
CYP1A2 P05177 1/20 0.45
CYP2C19 P33261 1/20 0.45

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
SCHEMBL6234726 0.88 HTR1A (0.49) HTR1ASLC6A4DRD4DRD2
SCHEMBL5585161 0.87 HTR1A (0.51) HTR1ASLC6A4DRD4DRD2CYP1A2
SCHEMBL5584586 0.87 HTR1A (0.51) HTR1ASLC6A4DRD4DRD2CYP1A2
SCHEMBL14571528 0.77 HTR1A (0.51) HTR1ASLC6A4DRD4DRD2CYP1A2
Hydrochloric Acid SCHEMBL5584771 0.76 HTR1A (0.50) HTR1ASLC6A4DRD4DRD2CYP1A2
SCHEMBL5584934 0.76 HTR1A (0.51) HTR1ASLC6A4DRD4DRD2
SCHEMBL5584872 0.76 HTR1A (0.51) HTR1ASLC6A4DRD4DRD2
SCHEMBL17313684 0.75 MAPT (0.67) HTR1ASLC6A4DRD4DRD2CYP1A2
SCHEMBL5584806 0.74 HTR1A (0.43) HTR1ADRD4
Cadaverine Tartrate SCHEMBL6804762 0.73 HTR1A (0.48) HTR1ASLC6A4DRD4DRD2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1188747-B1 PHENOXYPROPYLAMINE COMPOUNDS MITSUBISHI PHARMA CORP (JP) 2005-09-07 EP claimed