SCHEMBL6236958

SCHEMBL6236958

CN(C)C(=O)Oc1cc2cccc(OCC(O)CN3CCC(c4ccc5ccccc5c4)CC3)c2o1

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 4/20 0.46
SLC6A4 P31645 3/20 0.46
KCNH2 Q12809 2/20 0.43
DRD4 P21917 4/20 0.42
DRD2 P14416 2/20 0.42
ADRB2 P07550 2/20 0.41
ADRB1 P08588 2/20 0.41
ADRB3 P13945 2/20 0.41
POLB P06746 1/20 0.40

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
SCHEMBL6235663 0.89 HTR1A (0.48) HTR1ASLC6A4KCNH2DRD4DRD2
SCHEMBL5584573 0.87 KCNH2 (0.46) HTR1ASLC6A4KCNH2DRD4DRD2
SCHEMBL5584484 0.87 KCNH2 (0.46) HTR1ASLC6A4KCNH2DRD4DRD2
SCHEMBL5584635 0.83 KCNH2 (0.44) HTR1ASLC6A4KCNH2DRD4DRD2
SCHEMBL5584319 0.83 KCNH2 (0.51) HTR1ASLC6A4KCNH2DRD4DRD2
SCHEMBL6236732 0.83 HTR1A (0.57) HTR1ASLC6A4DRD4DRD2ADRB2
SCHEMBL5584992 0.82 KCNH2 (0.46) HTR1ASLC6A4KCNH2DRD4DRD2
SCHEMBL14571508 0.82 HTR1A (0.46) HTR1ASLC6A4KCNH2DRD4DRD2
SCHEMBL6234726 0.81 HTR1A (0.49) HTR1ASLC6A4DRD4DRD2
SCHEMBL6235576 0.81 HTR1A (0.47) HTR1ASLC6A4KCNH2DRD4DRD2

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