SCHEMBL5255307

SCHEMBL5255307

CC(C)Oc1ncc(CO)s1

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.34
ACACB O00763 16/20 0.33
SLC6A3 Q01959 1/20 0.33
PTGS1 P23219 1/20 0.33
ACACA Q13085 5/20 0.32
OGA O60502 1/20 0.32
CYP2C9 P11712 2/20 0.31
CYP2C19 P33261 1/20 0.30

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
SCHEMBL23146169 0.79
SCHEMBL19256888 0.75 PTGS1 (0.38) ACACBPTGS1ACACACYP2C9CYP2C19
SCHEMBL23146166 0.73 LTA4H (0.35) SLC6A3
SCHEMBL21029951 0.72 NOS1 (0.41) ACACBPTGS1ACACACYP2C9CYP2C19
SCHEMBL12701695 0.71 PTGS1 (0.32) ACACBPTGS1ACACACYP2C9
SCHEMBL6962358 0.71 OGA (0.34) HRH3OGA
SCHEMBL25693140 0.71 PIK3CD (0.34) ACACBPTGS1ACACACYP2C9
SCHEMBL1368651 0.71 PTGS1 (0.32) ACACBPTGS1ACACACYP2C9
SCHEMBL26365157 0.71 PTGS1 (0.32) ACACBPTGS1ACACACYP2C9
SCHEMBL26049718 0.71 MAPT (0.38) SLC6A3CYP2C19

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
CN-1960970-A Pyrrolidine derivatives as CB1-receptor antagonists TANABE SEIYAKU CO (JP) 2007-05-09 CN disclosed
EP-1748980-A1 PYRROLIDINE DERIVATIVES AS CB1-RECEPTOR ANTAGONISTS TANABE SEIYAKU CO., LTD. (JP) 2007-02-07 EP disclosed
WO-2005115977-A1 PYRROLIDINE DERIVATIVES AS CB1-RECEPTOR ANTAGONISTS TANABE SEIYAKU CO., LTD. (JP) 2005-12-08 WO disclosed