SCHEMBL6616451

SCHEMBL6616451

CCOc1ccc(Br)c(CC2CCN(CCC3CC(=O)N(c4ccccc4)C(=O)N3)CC2)c1

nearest known ligand 0.49

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 19/20 0.49
SLC6A4 P31645 19/20 0.49
CYP2D6 P10635 3/20 0.48
MAOB P27338 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
SCHEMBL6617746 0.92 HTR1A (0.46) HTR1ASLC6A4CYP2D6MAOB
SCHEMBL6614898 0.92 HTR1A (0.59) HTR1ASLC6A4
SCHEMBL6615662 0.89 HTR1A (0.49) HTR1ASLC6A4CYP2D6
SCHEMBL6615400 0.87 HTR1A (0.51) HTR1ASLC6A4CYP2D6MAOB
SCHEMBL6410333 0.86 HTR1A (0.50) HTR1ASLC6A4CYP2D6
SCHEMBL6409966 0.86 HTR1A (0.50) HTR1ASLC6A4CYP2D6
SCHEMBL6615341 0.85 SLC6A4 (0.42) HTR1ASLC6A4
SCHEMBL6614527 0.85 SLC6A4 (0.43) HTR1ASLC6A4
SCHEMBL6617238 0.83 HTR1A (0.48) HTR1ASLC6A4CYP2D6
SCHEMBL6617273 0.83 HTR1A (0.56) HTR1ASLC6A4

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-1466901-A1 SEROTONINE REUPTAKE INHIBITOR SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 2004-10-13 EP disclosed