SCHEMBL6235576

SCHEMBL6235576

CN(C)C(=O)Oc1cc2c(OCC(O)CN3CCC(c4ccc5ccccc5c4)CC3)cccc2n1C

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 6/20 0.47
SLC6A4 P31645 3/20 0.47
DRD4 P21917 7/20 0.45
DRD2 P14416 2/20 0.45
KCNH2 Q12809 2/20 0.42
CYP1A2 P05177 1/20 0.41
CYP2C19 P33261 1/20 0.41

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
SCHEMBL5585164 0.88 HTR1A (0.48) HTR1ASLC6A4DRD4DRD2KCNH2
SCHEMBL5584898 0.88 HTR1A (0.48) HTR1ASLC6A4DRD4DRD2KCNH2
SCHEMBL5584768 0.85 DRD4 (0.50) HTR1ASLC6A4DRD4DRD2KCNH2
SCHEMBL5584772 0.85 DRD4 (0.50) HTR1ASLC6A4DRD4DRD2KCNH2
SCHEMBL6234726 0.83 HTR1A (0.49) HTR1ASLC6A4DRD4DRD2
SCHEMBL6235663 0.83 HTR1A (0.48) HTR1ASLC6A4DRD4DRD2KCNH2
SCHEMBL6236732 0.83 HTR1A (0.57) HTR1ASLC6A4DRD4DRD2
SCHEMBL5584597 0.83 HTR1A (0.48) HTR1ASLC6A4DRD4DRD2KCNH2
SCHEMBL5584594 0.83 HTR1A (0.48) HTR1ASLC6A4DRD4DRD2KCNH2
SCHEMBL5585000 0.82 HTR1A (0.47) HTR1ASLC6A4DRD4DRD2KCNH2

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