SCHEMBL8972303

SCHEMBL8972303

C=CC1CCC(C2COC(c3ccc(F)c(F)c3)OC2)CC1

nearest known ligand 0.35

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.31
HTR2C P28335 1/20 0.31
HTR2B P41595 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
SCHEMBL8972299 1.00 HTR2A (0.31) HTR2AHTR2CHTR2B
SCHEMBL8972294 1.00 HTR2A (0.31) HTR2AHTR2CHTR2B
SCHEMBL8971544 0.88 SLC6A2 (0.30)
SCHEMBL8971556 0.88 SLC6A2 (0.30)
SCHEMBL8971534 0.88 SLC6A2 (0.30)
SCHEMBL13614939 0.86
SCHEMBL24462198 0.86
SCHEMBL10432665 0.85 HTR2A (0.31) HTR2AHTR2CHTR2B
SCHEMBL10432666 0.85 HTR2A (0.31) HTR2AHTR2CHTR2B
SCHEMBL8034756 0.84 USP5 (0.32)

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