SCHEMBL5234572

SCHEMBL5234572

CC(C)Cc1ccc(N2CCN(C(=O)O)CC2)nc1

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PANK3 Q9H999 8/20 0.55
RORC P51449 1/20 0.50
AOC3 Q16853 1/20 0.47
ME2 P23368 6/20 0.47
ME1 P48163 6/20 0.47
ME3 Q16798 6/20 0.47
HRH3 Q9Y5N1 1/20 0.47
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
HPGD P15428 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL16026531 0.83 HRH3 (0.53) PANK3RORCAOC3ME2ME1
SCHEMBL27637330 0.82 ME2 (0.53) PANK3AOC3ME2ME1ME3
SCHEMBL14367676 0.81 AOC3 (0.47) PANK3AOC3HRH3MEN1KMT2A
SCHEMBL3978153 0.81 AOC3 (0.52) PANK3RORCAOC3ME2ME1
SCHEMBL8252773 0.80 AOC3 (0.48) PANK3AOC3MEN1KMT2A
SCHEMBL29631001 0.80 AOC3 (0.54) PANK3RORCAOC3ME2ME1
SCHEMBL594245 0.79 PANK3 (0.49) PANK3RORCAOC3ME2ME1
SCHEMBL29042361 0.79 AOC3 (0.51) PANK3AOC3ME2ME1ME3
SCHEMBL29631039 0.79 AOC3 (0.51) PANK3AOC3ME2ME1ME3
SCHEMBL26966077 0.78 AOC3 (0.58) PANK3RORCAOC3ME2ME1

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-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
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 disclosed
EP-1701946-A2 DERIVATIVES OF 1-PIPERAZINE- AND 1-HOMOPIPERAZINE-CARBOXYLATES, PREPARATION METHOD THEREOF AND USE OF SAME AS INHIBITORS OF THE FAAH ENZYME Sanofi-Aventis (FR) 2006-09-20 EP disclosed
WO-2005070910-A2 DERIVATIVES OF 1-PIPERAZINE- AND 1-HOMOPIPERAZINE-CARBOXYLATES, PREPARATION METHOD THEREOF AND USE OF SAME AS INHIBITORS OF THE FAAH ENZYME SANOFI-AVENTIS (FR) 2005-08-04 WO disclosed