SCHEMBL19960417

SCHEMBL19960417

CNC(=O)C1c2ccccc2CC(=O)N1CC1CC1

nearest known ligand 0.66

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GRM7 Q14831 1/20 0.66
HSP90AA1 P07900 1/20 0.39
HSP90AB1 P08238 1/20 0.39
HDAC4 P56524 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38
HDAC5 Q9UQL6 1/20 0.38
LMNA P02545 1/20 0.36
ACE P12821 3/20 0.36
GAA P10253 1/20 0.35
HTR2A P28223 2/20 0.35
HRH1 P35367 2/20 0.35
MTNR1A P48039 1/20 0.34
MTNR1B P49286 1/20 0.34
FFAR1 O14842 1/20 0.34
NOTUM Q6P988 1/20 0.34
OPRM1 P35372 3/20 0.34
OPRL1 P41146 2/20 0.34
OPRK1 P41145 1/20 0.34
PDE6D O43924 1/20 0.34

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
SCHEMBL19953654 0.84 GRM7 (0.62) GRM7GAAMTNR1AMTNR1B
SCHEMBL19953513 0.84 GRM7 (0.62) GRM7GAAMTNR1AMTNR1B
SCHEMBL19953501 0.84 GRM7 (0.61) GRM7HDAC4HDAC7HDAC5ACE
SCHEMBL19953496 0.84 GRM7 (0.61) GRM7HDAC4HDAC7HDAC5ACE
SCHEMBL19960496 0.83 GRM7 (0.60) GRM7HDAC4HDAC7HDAC5ACE
SCHEMBL19960416 0.83 GRM7 (0.60) GRM7HDAC4HDAC7HDAC5ACE
SCHEMBL20113021 0.82 GRM7 (0.78) GRM7LMNAGAA
SCHEMBL20113020 0.82 GRM7 (0.68) GRM7GAA
SCHEMBL19960507 0.81 GRM7 (0.58) GRM7HDAC4HDAC7HDAC5LMNA
SCHEMBL20113096 0.81 GRM7 (0.55) GRM7FFAR1

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