SCHEMBL5194754

SCHEMBL5194754

CC(=O)ONc1cc(F)ccc1CN(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 1/20 0.38
RIPK1 Q13546 3/20 0.38
KCNQ4 P56696 3/20 0.34
KCNQ5 Q9NR82 3/20 0.34
HTR2C P28335 2/20 0.33
SLC6A4 P31645 2/20 0.33
MAPT P10636 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HTR2A P28223 1/20 0.33
KDM1A O60341 2/20 0.32
HDAC8 Q9BY41 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
PKM P14618 1/20 0.31
MAOB P27338 1/20 0.31
CPB2 Q96IY4 1/20 0.31
SSTR4 P31391 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
SCHEMBL5194744 0.81 GRM2 (0.38) GRM2RIPK1KCNQ4KCNQ5HTR2C
SCHEMBL4765343 0.77 GRM2 (0.42) GRM2RIPK1KCNQ4KCNQ5HTR2C
SCHEMBL4767547 0.77 GRM2 (0.40) GRM2RIPK1HTR2CSLC6A4MAPT
SCHEMBL29555338 0.77 KCNQ4 (0.50) GRM2RIPK1KCNQ4KCNQ5HTR2C
SCHEMBL12715855 0.76 GRM2 (0.43) GRM2RIPK1HTR2CSLC6A4HTR2A
SCHEMBL5191856 0.76 GRM2 (0.45) GRM2RIPK1HTR2CSLC6A4HTR2A
SCHEMBL4772593 0.76 GRM2 (0.39) GRM2RIPK1KCNQ4KCNQ5HTR2C
SCHEMBL5773500 0.72 GRM2 (0.38) GRM2RIPK1KCNQ4KCNQ5HTR2C
SCHEMBL5191594 0.72 SNCA (0.49) GRM2MAPT
SCHEMBL25366767 0.71 KCNQ4 (0.50) GRM2RIPK1KCNQ4KCNQ5HTR2C

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
EP-1813603-A1 AROMATIC AMIDE DERIVATIVES, MEDICINAL COMPOSITIONS CONTAINING THE SAME, MEDICAL USES OF BOTH Kissei Pharmaceutical Co., Ltd. (JP) 2007-08-01 EP disclosed