SCHEMBL27782001

SCHEMBL27782001

CC(C)CC1=CN(c2ccccc2C(F)(F)F)C(C=O)N1CC1CCC1

nearest known ligand 0.32

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 1/20 0.32
GRM2 Q14416 2/20 0.32
CYP1A2 P05177 1/20 0.32
KCNH2 Q12809 1/20 0.32
HCRTR2 O43614 1/20 0.30
L3MBTL1 Q9Y468 2/20 0.30
TDP1 Q9NUW8 1/20 0.30
CNR1 P21554 1/20 0.30
CNR2 P34972 1/20 0.30

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
SCHEMBL27782000 0.96 GRM2 (0.34) P2RX7GRM2L3MBTL1TDP1CNR1
SCHEMBL27760474 0.81 GRM2 (0.35) P2RX7GRM2KCNH2L3MBTL1TDP1
SCHEMBL27760475 0.81 SCN9A (0.34) HCRTR2
SCHEMBL27782005 0.71 L3MBTL1 (0.33) P2RX7L3MBTL1TDP1
SCHEMBL76310 0.68 SLC16A1 (0.36) P2RX7GRM2CYP1A2KCNH2L3MBTL1
SCHEMBL27781997 0.68 L3MBTL1 (0.33) L3MBTL1TDP1
SCHEMBL75173 0.63 CNR1 (0.38) GRM2L3MBTL1TDP1CNR1CNR2
SCHEMBL27760467 0.61 L3MBTL1 (0.35) P2RX7CYP1A2L3MBTL1TDP1
SCHEMBL76230 0.58 L3MBTL1 (0.37) GRM2L3MBTL1TDP1CNR1CNR2
SCHEMBL320896 0.58 IDO1 (0.50)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101553474-A Imidazolidinone and imidazolidinone derivatives as 11 b-HSD 1 inhibitors for diabetes HOFFMANN LA ROCHE (CH) 2009-10-07 CN claimed
CN-101553474-A Imidazolidinone and imidazolidinone derivatives as 11 b-HSD 1 inhibitors for diabetes HOFFMANN LA ROCHE (CH) 2009-10-07 CN disclosed