SCHEMBL19960841

SCHEMBL19960841

CNC1c2ccccc2C[C@@H]1NC(=O)C1c2ccccc2CC(=O)N1CC1CCOCC1

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GRM7 Q14831 1/20 0.49
GHSR Q92847 14/20 0.35
KCNH2 Q12809 1/20 0.33
SCN5A Q14524 1/20 0.33
SCN9A Q15858 1/20 0.33
LMNA P02545 1/20 0.33
BRD4 O60885 1/20 0.33
BIRC2 Q13490 2/20 0.33

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
SCHEMBL19960834 0.88 GRM7 (0.45) GRM7GHSRKCNH2SCN5ASCN9A
SCHEMBL19960865 0.87 GRM7 (0.51) GRM7KCNH2SCN5ASCN9ALMNA
SCHEMBL19960866 0.87 GRM7 (0.51) GRM7KCNH2SCN5ASCN9ALMNA
SCHEMBL19960929 0.86 GRM7 (0.49) GRM7KCNH2SCN5ASCN9ALMNA
SCHEMBL19953497 0.84 GRM7 (0.55) GRM7KCNH2SCN5ASCN9A
SCHEMBL19960878 0.83 GRM7 (0.60) GRM7GHSRKCNH2LMNA
SCHEMBL19960507 0.81 GRM7 (0.58) GRM7LMNA
SCHEMBL19960690 0.80 GRM7 (0.57) GRM7LMNA
SCHEMBL19953650 0.80 GRM7 (0.57) GRM7LMNA
SCHEMBL19960687 0.79 GRM7 (0.55) GRM7LMNA

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