SCHEMBL6236732

SCHEMBL6236732

CN(C)C(=O)Oc1cc2c(OCC(O)CN3CCC(c4ccc5ccccc5c4)CC3)cccc2[nH]1

nearest known ligand 0.57

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 14/20 0.57
SLC6A4 P31645 5/20 0.57
DRD2 P14416 1/20 0.47
DRD4 P21917 1/20 0.47
ADRB2 P07550 2/20 0.46
ADRB1 P08588 2/20 0.46
ADRB3 P13945 2/20 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
SCHEMBL5584501 0.88 HTR1A (0.59) HTR1ASLC6A4DRD2DRD4ADRB2
SCHEMBL5585160 0.88 HTR1A (0.59) HTR1ASLC6A4DRD2DRD4ADRB2
SCHEMBL6235663 0.85 HTR1A (0.48) HTR1ASLC6A4DRD2DRD4
SCHEMBL5584230 0.84 HTR1A (0.60) HTR1ASLC6A4DRD2DRD4ADRB2
SCHEMBL5584614 0.84 HTR1A (0.60) HTR1ASLC6A4DRD2DRD4ADRB2
SCHEMBL5584233 0.84 HTR1A (0.60) HTR1ASLC6A4DRD2DRD4ADRB2
SCHEMBL5584858 0.83 HTR1A (0.59) HTR1ASLC6A4DRD2DRD4ADRB2
SCHEMBL6234726 0.83 HTR1A (0.49) HTR1ASLC6A4DRD2DRD4
SCHEMBL6235576 0.83 HTR1A (0.47) HTR1ASLC6A4DRD2DRD4
SCHEMBL6236958 0.83 HTR1A (0.46) HTR1ASLC6A4DRD2DRD4ADRB2

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