SCHEMBL6618602

SCHEMBL6618602

COc1ccc(Br)c(CC2CCN(CC3CC(=O)N(C4CCCCC4)C(=O)N3)C2)c1

nearest known ligand 0.47

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 19/20 0.47
HTR1A P08908 18/20 0.47
POLB P06746 1/20 0.36

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
SCHEMBL6615380 0.95 SLC6A4 (0.51) SLC6A4HTR1APOLB
SCHEMBL6613859 0.91 HTR1A (0.45) SLC6A4HTR1A
SCHEMBL6613854 0.91 HTR1A (0.40) SLC6A4HTR1A
SCHEMBL6617295 0.88 HTR1A (0.54) SLC6A4HTR1A
SCHEMBL6417576 0.87 SLC6A4 (0.49) SLC6A4HTR1A
SCHEMBL6616600 0.86 HTR1A (0.46) SLC6A4HTR1A
SCHEMBL6415325 0.86 SLC6A4 (0.48) SLC6A4HTR1A
SCHEMBL6615129 0.85 HTR1A (0.46) SLC6A4HTR1A
SCHEMBL6615651 0.84 HTR1A (0.49) SLC6A4HTR1A
SCHEMBL6620065 0.83 HTR1A (0.52) SLC6A4HTR1A

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