SCHEMBL27889802

SCHEMBL27889802

NC(=O)OC(CC(F)(F)F)[SH](=O)=O

nearest known ligand 0.31

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.31
CHRM4 P08173 1/20 0.31
CHRM5 P08912 1/20 0.31
CHRM1 P11229 1/20 0.31
CHRM3 P20309 1/20 0.31
LMNA P02545 1/20 0.31
CYP2C9 P11712 1/20 0.31
TSHR P16473 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
SCHEMBL28922055 0.71 LMNA (0.50) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL28645329 0.69 LMNA (0.31) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL28635010 0.67 AOC1 (0.31)
SCHEMBL29892102 0.65 LMNA (0.35) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL14677148 0.64 LMNA (0.32) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL31674482 0.62 MAPT (0.37)
SCHEMBL14834067 0.61 CA1 (0.39) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL3990465 0.61 CA1 (0.34)
SCHEMBL3917158 0.61 HTT (0.32)
SCHEMBL28260420 0.61

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
CN-109053742-A New tricyclic compound ABBVIE 公司 2018-12-21 CN disclosed
CN-108774237-A New tricyclic compound ABBVIE 公司 2018-11-09 CN disclosed
CN-104370909-B Tricyclic compound ABBVIE 公司 2018-09-11 CN disclosed
CN-102711476-A Novel tricyclic compounds ABBOTT LAB 2012-10-03 CN disclosed