SCHEMBL5236715

SCHEMBL5236715

NC1(CC=O)CN(c2ccc(-c3cccc(C(F)(F)F)c3)nc2)CCN1C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 3/20 0.39
MAOB P27338 3/20 0.39
SLC6A7 Q99884 1/20 0.38
DHODH Q02127 1/20 0.37
APP P05067 1/20 0.37
KMO O15229 2/20 0.37
MAOA P21397 2/20 0.37
GRIN2B Q13224 4/20 0.36
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
HTT P42858 1/20 0.35
MEN1 O00255 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
KMT2A Q03164 1/20 0.35
CYP2C9 P11712 1/20 0.35
GRIN1 Q05586 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
SCHEMBL5234121 0.86 DHODH (0.39) KDM1AMAOBSLC6A7DHODHKMO
SCHEMBL5234482 0.83 MGLL (0.46) SLC6A7APPGRIN2BCYP2C9GRIN1
SCHEMBL5236708 0.83 KDM1A (0.41) KDM1AMAOBSLC6A7DHODHKMO
SCHEMBL5234118 0.78 DHODH (0.41) KDM1AMAOBSLC6A7DHODHKMO
SCHEMBL5230452 0.77 SLC6A7 (0.49) KDM1AMAOBSLC6A7DHODHKMO
SCHEMBL5233246 0.75 MGLL (0.42) SLC6A7KDM4ELMNAMAPTHTT
SCHEMBL5232205 0.73 SLC6A7 (0.41) KDM1AMAOBSLC6A7MAOAKDM4E
SCHEMBL5231147 0.72 CNR2 (0.48) SLC6A7LMNAMAPTMEN1NPC1
SCHEMBL5236251 0.71 KCNA5 (0.39)
SCHEMBL594736 0.70 LMNA (0.50) KDM1AMAOBSLC6A7MAOAKDM4E

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