SCHEMBL14047005

SCHEMBL14047005

CC(C)[C@@H](C)c1ccc(F)c(C(F)(F)F)c1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 1/20 0.40
TRPV3 Q8NET8 2/20 0.38
AR P10275 8/20 0.37
RXRA P19793 2/20 0.37
GRIN1 Q05586 2/20 0.37
GRIN2B Q13224 2/20 0.37
AKR1C3 P42330 2/20 0.37
AKR1C2 P52895 2/20 0.37
HDAC8 Q9BY41 1/20 0.36
PDE2A O00408 1/20 0.36
MPL P40238 3/20 0.36

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
SCHEMBL13360726 1.00 SLC6A4 (0.40) SLC6A4TRPV3ARRXRAGRIN1
SCHEMBL13328620 0.85 KIF11 (0.42) AKR1C3AKR1C2PDE2A
SCHEMBL13328612 0.85 KIF11 (0.42) AKR1C3AKR1C2PDE2A
SCHEMBL1104680 0.84 SLC6A4 (0.42) SLC6A4ARRXRAGRIN1GRIN2B
SCHEMBL1720265 0.83 PDE2A (0.50) SLC6A4TRPV3ARRXRAGRIN1
SCHEMBL3309320 0.81 RXRA (0.43) SLC6A4TRPV3ARRXRAGRIN1
SCHEMBL2399327 0.81 PDE2A (0.43) SLC6A4ARAKR1C3AKR1C2HDAC8
SCHEMBL22064887 0.81 SLC6A4 (0.40) SLC6A4TRPV3ARRXRAGRIN1
SCHEMBL5019023 0.81 PDE2A (0.43) SLC6A4ARAKR1C3AKR1C2HDAC8
SCHEMBL296445 0.81 PDE2A (0.43) SLC6A4ARAKR1C3AKR1C2HDAC8

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-2008130584-A1 PYRIMIDINONE DERIVATIVES AND METHODS OF USE THEREOF SCHERING CORPORATION (US) 2008-10-30 WO disclosed