SCHEMBL8972768

SCHEMBL8972768

C/C=C/[C@H]1CC[C@H]([C@H]2CO[C@H](c3ccc(Cl)c(Cl)c3)OC2)CC1

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 7/20 0.36
SLC6A3 Q01959 7/20 0.36
SLC6A2 P23975 4/20 0.36
TAAR1 Q96RJ0 1/20 0.33
MAOB P27338 3/20 0.32
KCNH2 Q12809 1/20 0.32

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
SCHEMBL9312472 1.00 SLC6A4 (0.36) SLC6A4SLC6A3SLC6A2TAAR1MAOB
SCHEMBL8972763 1.00 SLC6A4 (0.36) SLC6A4SLC6A3SLC6A2TAAR1MAOB
SCHEMBL8972773 1.00 SLC6A4 (0.36) SLC6A4SLC6A3SLC6A2TAAR1MAOB
SCHEMBL9312468 1.00 SLC6A4 (0.36) SLC6A4SLC6A3SLC6A2TAAR1MAOB
SCHEMBL9311971 0.89 SLC6A2 (0.32) SLC6A4SLC6A3SLC6A2
SCHEMBL8972361 0.89 SLC6A2 (0.32) SLC6A4SLC6A3SLC6A2
SCHEMBL8972367 0.89 SLC6A2 (0.32) SLC6A4SLC6A3SLC6A2
SCHEMBL8972357 0.89 SLC6A2 (0.32) SLC6A4SLC6A3SLC6A2
SCHEMBL9311977 0.89 SLC6A2 (0.32) SLC6A4SLC6A3SLC6A2
SCHEMBL8972754 0.85 MAPK1 (0.38)

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0433836-B1 Halophenyl substituted dioxanes HOFFMANN LA ROCHE (CH) 1996-03-27 EP disclosed
US-5322638-A Halophenyl substituted dioxanes HOFFMANN-LA ROCHE INC. (US) 1994-06-21 US disclosed
EP-0433836-A2 Halophenyl substituted dioxanes F. HOFFMANN-LA ROCHE AG (CH) 1991-06-26 EP disclosed