SCHEMBL6615282

SCHEMBL6615282

COc1ccc(Br)c(CC2CCN(CC[C@H]3CC[C@H](NC(C)=O)CC3)C2)c1

nearest known ligand 0.52

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 16/20 0.52
SLC6A4 P31645 16/20 0.52
DRD2 P14416 2/20 0.48
DRD3 P35462 1/20 0.48

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
SCHEMBL6615279 1.00 HTR1A (0.52) HTR1ASLC6A4DRD2DRD3
SCHEMBL6417671 0.94 HTR1A (0.59) HTR1ASLC6A4
SCHEMBL6417668 0.94 HTR1A (0.59) HTR1ASLC6A4
SCHEMBL6411278 0.93 HTR1A (0.52) HTR1ASLC6A4DRD2DRD3
SCHEMBL6411274 0.93 HTR1A (0.52) HTR1ASLC6A4DRD2DRD3
SCHEMBL6412832 0.91 HTR1A (0.51) HTR1ASLC6A4DRD2DRD3
SCHEMBL6410378 0.91 HTR1A (0.51) HTR1ASLC6A4DRD2DRD3
SCHEMBL6410375 0.91 HTR1A (0.51) HTR1ASLC6A4DRD2DRD3
SCHEMBL6412824 0.91 HTR1A (0.51) HTR1ASLC6A4DRD2DRD3
SCHEMBL6412276 0.90 HTR1A (0.50) HTR1ASLC6A4DRD2DRD3

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