SCHEMBL5237467

SCHEMBL5237467

CNC1(CC=O)CN(c2ccc(CC(C)C)cn2)CCN1C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PANK3 Q9H999 3/20 0.40
RORC P51449 1/20 0.35
SMO Q99835 1/20 0.34
HDAC1 Q13547 2/20 0.34
AOC3 Q16853 3/20 0.33
CACNA1H O95180 5/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
HRH3 Q9Y5N1 1/20 0.32
ABL1 P00519 1/20 0.31
CPB2 Q96IY4 1/20 0.31
CACNA1G O43497 1/20 0.31
CACNA1I Q9P0X4 1/20 0.31

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
SCHEMBL5238526 0.85 PANK3 (0.39) PANK3HDAC1AOC3CACNA1HMEN1
SCHEMBL5237457 0.81 PANK3 (0.41) PANK3RORCSMOHDAC1AOC3
SCHEMBL5236758 0.81 EGLN1 (0.40) PANK3
SCHEMBL5237148 0.81 RORC (0.34) RORCAOC3HRH3
SCHEMBL5235197 0.80 HSD17B10 (0.45)
SCHEMBL5237176 0.79 NPC1 (0.35) HDAC1MEN1KMT2A
SCHEMBL5238354 0.79 MAPT (0.40) MEN1KMT2A
SCHEMBL5231485 0.78 HTR3A (0.44) HDAC1
SCHEMBL5233798 0.78 AKR1C3 (0.36) PANK3HDAC1AOC3
SCHEMBL5237297 0.78 KDM4E (0.40) HRH3

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