SCHEMBL6616600

SCHEMBL6616600

CCOc1ccc(Br)c(CC2CCN(CC3CC(=O)N(C4CCCCC4)C(=O)N3)CC2)c1

nearest known ligand 0.46

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 18/20 0.46
SLC6A4 P31645 18/20 0.46
CYP2D6 P10635 3/20 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
SCHEMBL6617238 0.92 HTR1A (0.48) HTR1ASLC6A4CYP2D6
SCHEMBL6615380 0.91 SLC6A4 (0.51) HTR1ASLC6A4
SCHEMBL6618742 0.90 HTR1A (0.40) HTR1ASLC6A4CYP2D6
SCHEMBL6615129 0.89 HTR1A (0.46) HTR1ASLC6A4CYP2D6
SCHEMBL6618602 0.86 SLC6A4 (0.47) HTR1ASLC6A4
SCHEMBL6613859 0.86 HTR1A (0.45) HTR1ASLC6A4CYP2D6
SCHEMBL6412893 0.86 HTR1A (0.47) HTR1ASLC6A4CYP2D6
SCHEMBL6415239 0.86 HTR1A (0.47) HTR1ASLC6A4CYP2D6
SCHEMBL6615493 0.85 SLC6A4 (0.39) HTR1ASLC6A4
SCHEMBL6615278 0.85 HTR1A (0.39) 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