SCHEMBL19953650

SCHEMBL19953650

N[C@H]1c2ccccc2C[C@@H]1NC(=O)C1c2ccccc2CC(=O)N1CC1CC1

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GRM7 Q14831 1/20 0.57
F2 P00734 2/20 0.35
TSHR P16473 3/20 0.33
MAPT P10636 1/20 0.33
GAA P10253 1/20 0.33
LMNA P02545 1/20 0.33
HDAC4 P56524 1/20 0.32
HDAC7 Q8WUI4 1/20 0.32
HDAC5 Q9UQL6 1/20 0.32
TP53 P04637 1/20 0.32
ALDH1A1 P00352 1/20 0.32
PDE6D O43924 1/20 0.32
OPRM1 P35372 1/20 0.32
F11 P03951 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
MCHR1 Q99705 1/20 0.32

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
SCHEMBL19960690 1.00 GRM7 (0.57) GRM7F2TSHRMAPTGAA
SCHEMBL19960865 0.93 GRM7 (0.51) GRM7F2TSHRMAPTGAA
SCHEMBL19960866 0.93 GRM7 (0.51) GRM7F2TSHRMAPTGAA
SCHEMBL19960507 0.88 GRM7 (0.58) GRM7TSHRMAPTGAALMNA
SCHEMBL19960687 0.85 GRM7 (0.55) GRM7F2TSHRMAPTGAA
SCHEMBL19960694 0.84 GRM7 (0.54) GRM7TSHRMAPTGAALMNA
SCHEMBL19953513 0.84 GRM7 (0.62) GRM7TSHRMAPTGAATP53
SCHEMBL19953654 0.84 GRM7 (0.62) GRM7TSHRMAPTGAATP53
SCHEMBL19960696 0.82 GRM7 (0.55) GRM7TSHRMAPTGAALMNA
SCHEMBL19960417 0.80 GRM7 (0.66) GRM7GAALMNAHDAC4HDAC7

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