SCHEMBL5237148

SCHEMBL5237148

CNC1(CC=O)CN(c2ccc(CC(C)C)nc2)CCN1C(=O)O

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
RORC P51449 1/20 0.34
AOC3 Q16853 10/20 0.33
HRH3 Q9Y5N1 2/20 0.32
SCD O00767 1/20 0.30
FFAR4 Q5NUL3 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
SCHEMBL5237172 0.87 AOC3 (0.37) AOC3
SCHEMBL5236354 0.84 CHRNB2 (0.38)
SCHEMBL5237139 0.81 RORC (0.37) RORCAOC3HRH3
SCHEMBL5237467 0.81 PANK3 (0.40) RORCAOC3HRH3
SCHEMBL5238192 0.79 CYP2C19 (0.37)
SCHEMBL5232377 0.78 SMN1; SMN2 (0.37)
SCHEMBL5236555 0.77 USP2 (0.41) FFAR4
SCHEMBL5233074 0.77 L3MBTL1 (0.44)
SCHEMBL5237329 0.76 CA2 (0.40)
SCHEMBL5235907 0.76 ABL1 (0.35)

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