SCHEMBL5237575

SCHEMBL5237575

CNC1(CC=O)CN(c2ccccc2C(F)(F)F)CCN1C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RBP4 P02753 7/20 0.43
TTR P02766 2/20 0.43
AKR1C3 P42330 1/20 0.40
TRPV1 Q8NER1 7/20 0.39
HSD11B1 P28845 1/20 0.38
F13A1 P00488 1/20 0.37
TGM2 P21980 1/20 0.37
TGM1 P22735 1/20 0.37
FAAH O00519 1/20 0.37
DRD3 P35462 1/20 0.37
SCN9A Q15858 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
SCHEMBL5232924 0.86 GAA (0.41)
SCHEMBL5239767 0.85 ADRA1A (0.40)
SCHEMBL5235916 0.85 AR (0.40) AKR1C3
SCHEMBL5237871 0.85 DRD2 (0.40) AKR1C3DRD3
SCHEMBL5238575 0.83 CXCR3 (0.38) DRD3
SCHEMBL5238192 0.82 CYP2C19 (0.37)
SCHEMBL5234068 0.82 DRD2 (0.45) DRD3
SCHEMBL5238831 0.81 ALDH1A1 (0.43)
SCHEMBL5239721 0.80 TSHR (0.41) DRD3
SCHEMBL5233790 0.78 CA2 (0.38) AKR1C3DRD3

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
EP-1701946-B1 DERIVATIVES OF 1-PIPERAZINE- AND 1-HOMOPIPERAZINE-CARBOXYLATES, PREPARATION METHOD THEREOF AND USE OF SAME AS INHIBITORS OF THE FAAH ENZYME SANOFI AVENTIS (FR) 2007-12-19 EP claimed