SCHEMBL5234580

SCHEMBL5234580

CNC(=O)COC(=O)N1CCN(c2ccccc2OCC(F)(F)F)CC1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
ADRA1D P25100 5/20 0.45
ADRA1A P35348 5/20 0.45
ADRA1B P35368 5/20 0.45
TSHR P16473 2/20 0.45
L3MBTL1 Q9Y468 2/20 0.43
CYP3A4 P08684 2/20 0.43
CYP2C9 P11712 2/20 0.43
CYP2C19 P33261 2/20 0.43
NPC1 O15118 1/20 0.43
FAAH O00519 1/20 0.42
ALDH1A1 P00352 1/20 0.42
CYP1A2 P05177 1/20 0.42

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
SCHEMBL5237366 0.84 AKR1C3 (0.52) GAASMN1; SMN2FAAHALDH1A1
SCHEMBL5239273 0.84 ALDH1A1 (0.60) TSHRL3MBTL1CYP3A4CYP2C9CYP2C19
SCHEMBL5236897 0.81 ALDH1A1 (0.53) GAASMN1; SMN2TSHRCYP3A4CYP2C9
SCHEMBL5237576 0.81 KMT2A (0.53) GAASMN1; SMN2TSHRL3MBTL1CYP2C9
SCHEMBL7961982 0.81 L3MBTL1 (0.51) GAASMN1; SMN2ADRA1DADRA1AADRA1B
SCHEMBL5232433 0.79 ALDH1A1 (0.59) GAASMN1; SMN2TSHRFAAHALDH1A1
SCHEMBL5235199 0.79 GAA (0.53) GAASMN1; SMN2TSHRFAAHALDH1A1
SCHEMBL5240191 0.79 L3MBTL1 (0.49) GAASMN1; SMN2ADRA1DADRA1AADRA1B
SCHEMBL5235922 0.77 HTR1A (0.51) GAASMN1; SMN2FAAHALDH1A1
SCHEMBL5233076 0.77 GAA (0.50) GAASMN1; SMN2FAAHALDH1A1

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