SCHEMBL9311971

SCHEMBL9311971

CC=CC1CCC(C2COC(c3ccc(Cl)c(F)c3)OC2)CC1

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 3/20 0.32
SLC6A4 P31645 1/20 0.32
SLC6A3 Q01959 1/20 0.32
HTR7 P34969 1/20 0.31

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
SCHEMBL8972367 1.00 SLC6A2 (0.32) SLC6A2SLC6A4SLC6A3HTR7
SCHEMBL8972361 1.00 SLC6A2 (0.32) SLC6A2SLC6A4SLC6A3HTR7
SCHEMBL9311977 1.00 SLC6A2 (0.32) SLC6A2SLC6A4SLC6A3HTR7
SCHEMBL8972357 1.00 SLC6A2 (0.32) SLC6A2SLC6A4SLC6A3HTR7
SCHEMBL9311788 0.89
SCHEMBL8972797 0.89
SCHEMBL8972801 0.89
SCHEMBL9311786 0.89
SCHEMBL8972791 0.89
SCHEMBL9312472 0.89 SLC6A4 (0.36) SLC6A2SLC6A4SLC6A3

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
US-5322638-A Halophenyl substituted dioxanes HOFFMANN-LA ROCHE INC. (US) 1994-06-21 US disclosed