SCHEMBL20140024

SCHEMBL20140024

Cc1cc(C)c(S(=O)(=O)N2CCN(c3ccccc3C#N)C[C@@H]2C)cc1C=O

nearest known ligand 0.43

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
GRM1 Q13255 1/20 0.43
HSD11B1 P28845 18/20 0.41
CYP2D6 P10635 1/20 0.37
GSK3B P49841 1/20 0.37

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
SCHEMBL20141184 0.86 GRM1 (0.47) GRM1HSD11B1
SCHEMBL20141860 0.83 GRM1 (0.47) GRM1HSD11B1CYP2D6GSK3B
SCHEMBL20140128 0.83 GRM1 (0.45) GRM1HSD11B1CYP2D6GSK3B
SCHEMBL20139954 0.83 POLB (0.45) HSD11B1
SCHEMBL20139834 0.82 GRM1 (0.41) GRM1HSD11B1CYP2D6GSK3B
SCHEMBL20142060 0.82 GRM1 (0.50) GRM1HSD11B1CYP2D6
SCHEMBL20140709 0.82 GRM1 (0.50) GRM1HSD11B1CYP2D6
SCHEMBL20141109 0.79 MTOR (0.40) GRM1HSD11B1CYP2D6
SCHEMBL20141108 0.79 MTOR (0.40) GRM1HSD11B1CYP2D6
SCHEMBL20140644 0.75 GRM1 (0.42) GRM1HSD11B1CYP2D6GSK3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2018089433-A1 PHENYL mTORC INHIBITORS AND USES THEREOF NAVITOR PHARMACEUTICALS, INC. (US) 2018-05-17 WO disclosed
WO-2018089433-A1 PHENYL mTORC INHIBITORS AND USES THEREOF NAVITOR PHARMACEUTICALS, INC. (US) 2018-05-17 WO disclosed