SCHEMBL7780947

SCHEMBL7780947

CCNCCCC1OCC(c2cccc3cc(OC)ccc23)CO1

nearest known ligand 0.66

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ACACB O00763 1/20 0.58
MTNR1A P48039 3/20 0.37
MTNR1B P49286 2/20 0.37
NQO2 P16083 1/20 0.37
SLC6A4 P31645 2/20 0.36
SIGMAR1 Q99720 1/20 0.35
HRH3 Q9Y5N1 1/20 0.35
SLC2A1 P11166 2/20 0.35
HTR2A P28223 1/20 0.34
HRH1 P35367 1/20 0.34

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
Hydrochloric Acid SCHEMBL8418541 0.99 ACACB (0.57) ACACBMTNR1AMTNR1BNQO2SLC6A4
SCHEMBL5497655 0.88 ACACB (0.58) ACACBMTNR1AMTNR1BNQO2SIGMAR1
SCHEMBL7775681 0.87 ACACB (0.60) ACACBMTNR1AMTNR1BNQO2SLC2A1
SCHEMBL7780014 0.86 ACACB (0.59) ACACBMTNR1AMTNR1BNQO2SLC2A1
SCHEMBL4382039 0.85 ACACB (0.67) ACACBMTNR1AMTNR1BNQO2
SCHEMBL9236434 0.85 ACACB (0.78) ACACBMTNR1AMTNR1BNQO2
SCHEMBL7779969 0.85 ACACB (0.78) ACACBMTNR1AMTNR1BNQO2
SCHEMBL4382041 0.85 ACACB (0.67) ACACBMTNR1AMTNR1BNQO2
SCHEMBL4950105 0.85 ACACB (0.67) ACACBMTNR1AMTNR1BNQO2
SCHEMBL9239113 0.85 ACACB (0.78) ACACBMTNR1AMTNR1BNQO2

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-0869952-B1 5-NAPHTHALEN-1-YL-1,3-DIOXANE DERIVATIVES, PREPARATION AND THERAPEUTICAL USE THEREOF SANOFI SYNTHELABO (FR) 2001-09-19 EP disclosed
EP-0869952-A1 5-NAPHTHALEN-1-YL-1,3-DIOXANE DERIVATIVES, PREPARATION AND THERAPEUTICAL USE THEREOF SYNTHELABO (FR) 1998-10-14 EP disclosed
WO-1997020836-A1 5-NAPHTHALEN-1-YL-1,3-DIOXANE DERIVATIVES, PREPARATION AND THERAPEUTICAL USE THEREOF SYNTHELABO (FR) 1997-06-12 WO disclosed