SCHEMBL6612883

SCHEMBL6612883

COc1ccc(Br)c(CC2CCN(CC3CC(=O)N(C4CCCCC4)C(=O)N3C)CC2)c1

nearest known ligand 0.53

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 20/20 0.53
HTR1A P08908 19/20 0.53

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
SCHEMBL6612927 0.91 HTR1A (0.49) SLC6A4HTR1A
SCHEMBL6615550 0.91 HTR1A (0.47) SLC6A4HTR1A
SCHEMBL6617264 0.89 HTR1A (0.52) SLC6A4HTR1A
SCHEMBL6617713 0.87 HTR1A (0.43) SLC6A4HTR1A
SCHEMBL6614883 0.87 SLC6A4 (0.43) SLC6A4HTR1A
SCHEMBL6411158 0.86 SLC6A4 (0.54) SLC6A4HTR1A
SCHEMBL6416958 0.86 SLC6A4 (0.54) SLC6A4HTR1A
SCHEMBL6615380 0.84 SLC6A4 (0.51) SLC6A4HTR1A
SCHEMBL6615354 0.83 HTR1A (0.58) SLC6A4HTR1A
SCHEMBL6618489 0.82 HTR1A (0.61) 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