SCHEMBL19960696

SCHEMBL19960696

CC(C)S(=O)(=O)C1c2ccccc2CC1NC(=O)[C@@H]1c2ccccc2CC(=O)N1CC1CC1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GRM7 Q14831 4/20 0.55
TSHR P16473 5/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
GAA P10253 1/20 0.32
NPY5R Q15761 3/20 0.32
HTT P42858 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
LMNA P02545 1/20 0.32
ALDH1A1 P00352 1/20 0.31
XIAP P98170 1/20 0.31
BIRC3 Q13489 1/20 0.31
BIRC2 Q13490 1/20 0.31
OPRM1 P35372 1/20 0.31
CASP3 P42574 1/20 0.31
CASP2 P42575 1/20 0.31
MAPT P10636 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
SCHEMBL19960694 0.91 GRM7 (0.54) GRM7TSHRCYP3A4CYP2C9CYP2C19
SCHEMBL19960507 0.83 GRM7 (0.58) GRM7TSHRGAALMNAALDH1A1
SCHEMBL19953650 0.82 GRM7 (0.57) GRM7TSHRGAALMNAALDH1A1
SCHEMBL19960690 0.82 GRM7 (0.57) GRM7TSHRGAALMNAALDH1A1
SCHEMBL19960687 0.82 GRM7 (0.55) GRM7TSHRCYP3A4CYP2C9CYP2C19
SCHEMBL19953654 0.79 GRM7 (0.62) GRM7TSHRGAAALDH1A1MAPT
SCHEMBL19953513 0.79 GRM7 (0.62) GRM7TSHRGAAALDH1A1MAPT
SCHEMBL19960878 0.78 GRM7 (0.60) GRM7GAALMNAXIAP
SCHEMBL19960417 0.78 GRM7 (0.66) GRM7GAALMNAOPRM1
SCHEMBL19960841 0.77 GRM7 (0.49) GRM7LMNABIRC2

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
WO-2018047983-A1 INDANE DERIVATIVES USEFUL AS MODULATORS OF MGLUR7 TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2018-03-15 WO disclosed