SCHEMBL6234726

SCHEMBL6234726

CN(C)C(=O)Oc1cc2c(OCC(O)CN3CCC(c4ccc5ccccc5c4)CC3)cccc2s1

nearest known ligand 0.49

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 19/20 0.49
SLC6A4 P31645 6/20 0.49
DRD2 P14416 1/20 0.45
DRD4 P21917 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
SCHEMBL6239250 0.88 HTR1A (0.50) HTR1ASLC6A4DRD2DRD4
SCHEMBL5584934 0.88 HTR1A (0.51) HTR1ASLC6A4DRD2DRD4
SCHEMBL5584872 0.88 HTR1A (0.51) HTR1ASLC6A4DRD2DRD4
Cadaverine Tartrate SCHEMBL6804762 0.84 HTR1A (0.48) HTR1ASLC6A4DRD2DRD4
SCHEMBL5584147 0.84 HTR1A (0.49) HTR1ASLC6A4DRD2DRD4
SCHEMBL6235663 0.83 HTR1A (0.48) HTR1ASLC6A4DRD2DRD4
SCHEMBL6236732 0.83 HTR1A (0.57) HTR1ASLC6A4DRD2DRD4
SCHEMBL6235576 0.83 HTR1A (0.47) HTR1ASLC6A4DRD2DRD4
SCHEMBL5584878 0.81 HTR1A (0.51) HTR1ASLC6A4DRD2DRD4
SCHEMBL5585013 0.81 HTR1A (0.51) HTR1ASLC6A4DRD2DRD4

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