SCHEMBL5237457

SCHEMBL5237457

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

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PANK3 Q9H999 6/20 0.41
RORC P51449 1/20 0.38
SMO Q99835 1/20 0.38
AOC3 Q16853 2/20 0.37
HDAC1 Q13547 2/20 0.35
CACNA1H O95180 3/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
WNT3A P56704 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33

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
SCHEMBL5238522 0.83 PANK3 (0.43) PANK3MEN1KMT2AHRH3
SCHEMBL5237467 0.81 PANK3 (0.40) PANK3RORCSMOAOC3HDAC1
SCHEMBL5237139 0.80 RORC (0.37) RORCAOC3HRH3
SCHEMBL5236755 0.78 MGLL (0.41) PANK3KMT2A
SCHEMBL5235191 0.77 ALDH1A1 (0.47) PANK3
SCHEMBL5237168 0.76 NPC1 (0.36) RORCHDAC1MEN1KMT2A
SCHEMBL5238349 0.76 MAPT (0.45) PANK3MEN1KMT2A
SCHEMBL5233791 0.76 PANK3 (0.41) PANK3KMT2A
SCHEMBL5234572 0.75 PANK3 (0.55) PANK3RORCAOC3MEN1KMT2A
SCHEMBL5237292 0.75 KDM4E (0.43) 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