SCHEMBL4735031

SCHEMBL4735031

CC(C)(C)Cn1cnc(C(=O)OC(=O)C(F)(F)F)c1

nearest known ligand 0.32

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ SCD O00767 1/20 0.32
▸ AR P10275 1/20 0.31
▸ CNR2 P34972 1/20 0.30
▸ ADORA3 P0DMS8 1/20 0.30
▸ ADORA2A P29274 1/20 0.30
▸ ADORA1 P30542 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
SCHEMBL4733881 0.80 GABRG2 (0.35) —
Trifluoroacetic Acid SCHEMBL4735033 0.78 PLA2G4A (0.36) ARCNR2
SCHEMBL4737902 0.77 RBP4 (0.46) SCD
SCHEMBL4738757 0.76 PLA2G4A (0.40) CNR2
SCHEMBL31332879 0.74 MEN1 (0.42) SCDCNR2
SCHEMBL16563562 0.69 CNR2 (0.39) SCDCNR2
SCHEMBL21063624 0.68 KDM2B (0.33) —
SCHEMBL21314975 0.66 MEN1 (0.40) SCD
Trifluoroacetic Acid SCHEMBL4738880 0.64 RBP4 (0.47) SCD
SCHEMBL7425205 0.63 SMYD3 (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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008073461-A2 ION CHANNEL MODULATORS WYETH (US) 2008-06-19 — — WO disclosed
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