SCHEMBL3686366

SCHEMBL3686366

CC(C)(C)OC(=O)NCc1ccc(F)c(OCCO)c1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.44
GAA P10253 1/20 0.42
FAAH O00519 2/20 0.41
HDAC1 Q13547 2/20 0.41
NAMPT P43490 1/20 0.40
MMP13 P45452 1/20 0.40
CYP4F2 P78329 1/20 0.40
CYP4A11 Q02928 1/20 0.40
SDCBP O00560 1/20 0.39
SDC2 P34741 1/20 0.39

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
SCHEMBL28710981 0.89 L3MBTL1 (0.46) GRM2L3MBTL1GAAFAAHHDAC1
SCHEMBL10165058 0.85 ALDH1A1 (0.51) GRM2
SCHEMBL21090329 0.83 GRM2 (0.49) GRM2L3MBTL1GAAHDAC1NAMPT
SCHEMBL3646064 0.82 MMP13 (0.45) MMP13CYP4F2CYP4A11
SCHEMBL24999627 0.82 GRM2 (0.49) GRM2L3MBTL1GAAHDAC1NAMPT
SCHEMBL29769069 0.82 GRM2 (0.49) GRM2L3MBTL1GAAHDAC1NAMPT
SCHEMBL8252975 0.81 GRM2 (0.44) GRM2L3MBTL1GAAHDAC1NAMPT
SCHEMBL28177950 0.81 GRM2 (0.48) GRM2L3MBTL1GAAFAAHHDAC1
SCHEMBL23761812 0.81 GRM2 (0.45) GRM2L3MBTL1GAANAMPT
SCHEMBL30034155 0.81 GRM2 (0.45) GRM2L3MBTL1GAANAMPT

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2185537-A1 PYRIMIDINE AND PYRIDINE DERIVATIVES AND THEIR PHARMACEUTICAL USE AND COMPOSITIONS Pfizer Inc. (US) 2010-05-19 EP disclosed
WO-2009016498-A1 PYRIMIDINE AND PYRIDINE DERIVATIVES AND THEIR PHARMACEUTICAL USE AND COMPOSITIONS PFIZER INC. (US) 2009-02-05 WO disclosed
WO-2009016498-A1 PYRIMIDINE AND PYRIDINE DERIVATIVES AND THEIR PHARMACEUTICAL USE AND COMPOSITIONS PFIZER INC. (US) 2009-02-05 WO disclosed