SCHEMBL28535243

SCHEMBL28535243

CC(C)c1conc1C(=O)Nc1cnn(Cc2cnccc2C(F)(F)F)c1

nearest known ligand 0.71

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SCD5 Q86SK9 16/20 0.71
SCD O00767 5/20 0.71
CYP2C8 P10632 2/20 0.44
CYP2B6 P20813 2/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
TAS2R8 Q9NYW2 1/20 0.41

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
SCHEMBL21523751 0.83 SCD5 (1.00) SCD5SCDCYP2C8CYP2B6CYP2C9
SCHEMBL21523768 0.82 SCD5 (0.70) SCD5SCDCYP2C8CYP2B6CYP2C9
SCHEMBL21523781 0.77 SCD5 (1.00) SCD5SCD
SCHEMBL21535951 0.77 SCD5 (0.87) SCD5SCDCYP2C8CYP2B6CYP2C9
SCHEMBL21523848 0.75 SCD5 (1.00) SCD5SCDCYP2C8CYP2B6CYP2C9
SCHEMBL21523672 0.75 SCD5 (1.00) SCD5SCDCYP2C8CYP2B6CYP2C9
SCHEMBL21523591 0.75 SCD5 (1.00) SCD5SCDCYP2C8CYP2B6CYP2C9
SCHEMBL21523801 0.74 SCD5 (1.00) SCD5SCDCYP2C8CYP2B6
SCHEMBL21523622 0.74 SCD5 (1.00) SCD5SCDCYP2C8CYP2B6CYP2C9
SCHEMBL21523617 0.73 SCD5 (1.00) SCD5SCDCYP2C8CYP2B6CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112566636-A Compound and use thereof 优曼尼蒂治疗公司 2021-03-26 CN disclosed