SCHEMBL3628487

SCHEMBL3628487

C[C@@H]1CN(c2ncccc2C(F)(F)F)CCN1C(=O)C1(S(=O)(=O)c2ccccc2)CNC(=O)N1C1CCCCC1

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 3/20 0.47
HSD11B1 P28845 10/20 0.46
RBP4 P02753 2/20 0.42
GRM1 Q13255 3/20 0.42
HRH3 Q9Y5N1 1/20 0.37
TTR P02766 1/20 0.37

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
SCHEMBL3633852 1.00 TRPV1 (0.47) TRPV1HSD11B1RBP4GRM1HRH3
SCHEMBL1734703 0.76 HSD11B1 (0.52) TRPV1HSD11B1RBP4GRM1
SCHEMBL1734453 0.76 HSD11B1 (0.52) TRPV1HSD11B1RBP4GRM1
SCHEMBL1734455 0.76 HSD11B1 (0.52) TRPV1HSD11B1RBP4GRM1
SCHEMBL3632572 0.73 HSD11B1 (0.46) TRPV1HSD11B1RBP4HRH3
SCHEMBL4266990 0.73 TRPV1 (0.69) TRPV1HSD11B1RBP4GRM1
SCHEMBL3631891 0.71 ALDH1A1 (0.39)
SCHEMBL3632439 0.71 HSD11B1 (0.43) TRPV1HSD11B1RBP4HRH3
SCHEMBL3623860 0.70 HSD11B1 (0.52) TRPV1HSD11B1RBP4
SCHEMBL4262872 0.69 TRPV1 (0.77) TRPV1RBP4

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-2142533-A1 IMIDAZOLIDINONE DERIVATIVES F. Hoffmann-Roche AG (CH) 2010-01-13 EP claimed
WO-2008119657-A1 IMIDAZOLIDINONE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2008-10-09 WO claimed
EP-2142533-A1 IMIDAZOLIDINONE DERIVATIVES F. Hoffmann-Roche AG (CH) 2010-01-13 EP disclosed
WO-2008119657-A1 IMIDAZOLIDINONE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2008-10-09 WO disclosed