SCHEMBL5237172

SCHEMBL5237172

CCCc1ccc(N2CCN(C(=O)O)C(CC=O)(NC)C2)cn1

nearest known ligand 0.37

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 17/20 0.37
PARP1 P09874 2/20 0.30
PARP2 Q9UGN5 2/20 0.30
KCNH2 Q12809 1/20 0.30
PARP6 Q2NL67 1/20 0.30
PARP3 Q9Y6F1 1/20 0.30

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
SCHEMBL5237148 0.87 RORC (0.34) AOC3
SCHEMBL5236354 0.85 CHRNB2 (0.38)
SCHEMBL5237166 0.81 AOC3 (0.41) AOC3PARP1PARP2KCNH2
SCHEMBL5238192 0.80 CYP2C19 (0.37)
SCHEMBL5232294 0.79 ALDH1A1 (0.39)
SCHEMBL5230481 0.79 ITGB3 (0.39)
SCHEMBL5236555 0.78 USP2 (0.41)
SCHEMBL5233074 0.77 L3MBTL1 (0.44)
SCHEMBL5237176 0.77 NPC1 (0.35)
SCHEMBL5235809 0.76 MAPT (0.44)

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