SCHEMBL5230760

SCHEMBL5230760

CC(C)Cc1ccc(N2CCN(C(=O)O)CC2)cn1

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
RORC P51449 1/20 0.49
HRH3 Q9Y5N1 2/20 0.47
AOC3 Q16853 11/20 0.45
LMNA P02545 1/20 0.42
TSHR P16473 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
GAA P10253 1/20 0.41
PRMT5 O14744 1/20 0.41

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
SCHEMBL29630875 0.83 HRH3 (0.53) RORCHRH3AOC3
SCHEMBL3853696 0.83 HRH3 (0.53) RORCHRH3AOC3
SCHEMBL5233548 0.82 AOC3 (0.51) RORCHRH3AOC3
SCHEMBL594810 0.79 HRH3 (0.46) RORCHRH3AOC3LMNAGAA
SCHEMBL29631009 0.79 AOC3 (0.51) RORCHRH3AOC3LMNAGAA
SCHEMBL14341117 0.77 CHRNB2 (0.54) AOC3
SCHEMBL5237139 0.75 RORC (0.37) RORCHRH3AOC3PRMT5
SCHEMBL30230133 0.74 AKR1C3 (0.46) HRH3TSHRSMN1; SMN2
SCHEMBL1115477 0.74 AKR1C3 (0.68) LMNA
SCHEMBL29600699 0.74 TRPC6 (0.52) AOC3TSHRSMN1; SMN2

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