SCHEMBL4084572

SCHEMBL4084572

CC(C)CC1CNC(=O)N1c1ccccc1C(F)(F)F

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AR P10275 4/20 0.38
L3MBTL1 Q9Y468 3/20 0.38
TDP1 Q9NUW8 2/20 0.38
KDM4E B2RXH2 1/20 0.37
MAPT P10636 1/20 0.37
P2RX7 Q99572 3/20 0.36
KMT2A Q03164 1/20 0.36
OXTR P30559 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HTT P42858 1/20 0.36
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
HTR2B P41595 1/20 0.35
HCAR1 Q9BXC0 2/20 0.34
SLC6A2 P23975 1/20 0.34
SLC6A4 P31645 1/20 0.34
SLC6A3 Q01959 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
SCHEMBL75045 0.72 KMT2A (0.39) L3MBTL1TDP1KDM4EMAPTP2RX7
SCHEMBL8724269 0.70 HTT (0.42) L3MBTL1TDP1KDM4EMAPTOXTR
SCHEMBL8416978 0.67 RBP4 (0.36) L3MBTL1TDP1KDM4EMAPTP2RX7
SCHEMBL11852847 0.66 PRKCQ (0.48) KMT2AHTR2CSLC6A2SLC6A4SLC6A3
Hydrochloric Acid SCHEMBL3561985 0.64 HTR2C (0.69) HTR2AHTR2CHTR2B
SCHEMBL2732936 0.63 NOTUM (0.43) L3MBTL1TDP1KDM4EMAPTP2RX7
SCHEMBL14011480 0.63 OXTR (0.32) OXTR
SCHEMBL76459 0.62 HCAR1 (0.43) L3MBTL1TDP1KDM4EMAPTKMT2A
SCHEMBL27306698 0.62 HSD11B1 (0.47) KMT2A
SCHEMBL8726258 0.62 LMNA (0.49) L3MBTL1TDP1KDM4EMAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2104665-A2 IMIDAZOLONE AND IMIDAZOLIDINONE DERIVATIVES AS 11B-HSD1 INHIBITORS FOR DIABETES F. Hoffmann-Roche AG (CH) 2009-09-30 EP claimed
WO-2008046758-A2 IMIDAZOLONE AND IMIDAZOLIDINONE DERIVATIVES AS 11B-HSD1 INHIBITORS FOR DIABETES F. HOFFMANN-LA ROCHE AG (CH) 2008-04-24 WO claimed
EP-2104665-A2 IMIDAZOLONE AND IMIDAZOLIDINONE DERIVATIVES AS 11B-HSD1 INHIBITORS FOR DIABETES F. Hoffmann-Roche AG (CH) 2009-09-30 EP disclosed
WO-2008046758-A2 IMIDAZOLONE AND IMIDAZOLIDINONE DERIVATIVES AS 11B-HSD1 INHIBITORS FOR DIABETES F. HOFFMANN-LA ROCHE AG (CH) 2008-04-24 WO disclosed