SCHEMBL5236309

SCHEMBL5236309

CCNC1(C(C)=O)CN(c2cnccn2)CCN1C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.40
LMNA P02545 1/20 0.39
TP53 P04637 1/20 0.39
MAPT P10636 1/20 0.39
HRH3 Q9Y5N1 4/20 0.39
RXFP1 Q9HBX9 1/20 0.39
THRB P10828 1/20 0.38
SLC6A7 Q99884 1/20 0.38
POLB P06746 1/20 0.38
ALDH1A1 P00352 1/20 0.37
GAA P10253 1/20 0.37
GRM1 Q13255 1/20 0.37
SORD Q00796 1/20 0.36
HTR1A P08908 1/20 0.35
HTR2A P28223 1/20 0.35

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
SCHEMBL5237292 0.87 KDM4E (0.43) KDM4ETP53HRH3RXFP1THRB
SCHEMBL5237938 0.81 PANK3 (0.41) MAPTHRH3HTR1AHTR2A
SCHEMBL5236318 0.80 KDM4E (0.38) KDM4ELMNATP53MAPTHRH3
SCHEMBL5237297 0.72 KDM4E (0.40) KDM4ELMNATP53MAPTHRH3
SCHEMBL5235191 0.71 ALDH1A1 (0.47) KDM4EMAPTTHRBPOLBALDH1A1
SCHEMBL5233805 0.70 PANK3 (0.39) HRH3
SCHEMBL14224744 0.68 CKS1B (0.53) KDM4ELMNATP53MAPTHRH3
SCHEMBL3710705 0.66 SLC6A7 (0.62) KDM4ELMNAHRH3RXFP1SLC6A7
SCHEMBL13073553 0.65 SLC6A7 (0.57) KDM4ELMNAHRH3RXFP1SLC6A7
SCHEMBL26945270 0.65 KDM4E (0.43) KDM4ELMNATP53MAPTRXFP1

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