SCHEMBL9239113

SCHEMBL9239113

COc1ccc2c(cccc2[C@H]2CO[C@H](CCCNC(C)=O)OC2)c1

nearest known ligand 0.78

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ACACB O00763 9/20 0.78
MTNR1A P48039 10/20 0.53
MTNR1B P49286 7/20 0.53
ACACA Q13085 4/20 0.50
HTR2C P28335 1/20 0.46
HTR2B P41595 1/20 0.46
NQO2 P16083 4/20 0.43

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
SCHEMBL7779969 1.00 ACACB (0.78) ACACBMTNR1AMTNR1BACACAHTR2C
SCHEMBL9236434 1.00 ACACB (0.78) ACACBMTNR1AMTNR1BACACAHTR2C
SCHEMBL4382041 0.92 ACACB (0.67) ACACBMTNR1AMTNR1BACACAHTR2C
SCHEMBL4382039 0.92 ACACB (0.67) ACACBMTNR1AMTNR1BACACAHTR2C
SCHEMBL4950105 0.92 ACACB (0.67) ACACBMTNR1AMTNR1BACACAHTR2C
SCHEMBL8120495 0.90 ACACB (0.76) ACACBMTNR1AMTNR1BACACA
SCHEMBL6469709 0.90 ACACB (0.65) ACACBMTNR1AMTNR1BACACAHTR2C
SCHEMBL8109293 0.88 ACACB (0.75) ACACBMTNR1AMTNR1BACACA
SCHEMBL8109688 0.88 ACACB (1.00) ACACBMTNR1AMTNR1BACACANQO2
SCHEMBL9235486 0.88 ACACB (0.75) ACACBMTNR1AMTNR1BACACA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0686394-A1 Use of N-[[5-(naphthales-1-yl)-1,3-dioxan-2-yl]alkyl]acetamide derivatives for the preparation of medicaments for use in the treatment of neurodegenerative disorders SYNTHELABO (FR) 1995-12-13 EP claimed
JP-7330598-A None JP disclosed
JP-H07330598-A PHARMACEUTICAL COMPOSITION FOR TREATING NEURODEGENERATIVE DISORDER SYNTHELABO SA 1995-12-19 JP disclosed
EP-0686394-A1 Use of N-[[5-(naphthales-1-yl)-1,3-dioxan-2-yl]alkyl]acetamide derivatives for the preparation of medicaments for use in the treatment of neurodegenerative disorders SYNTHELABO (FR) 1995-12-13 EP disclosed