SCHEMBL5238522

SCHEMBL5238522

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PANK3 Q9H999 1/20 0.43
RAB9A P51151 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
PPARG P37231 1/20 0.37
PPARA Q07869 1/20 0.37
GRIN2D O15399 1/20 0.36
GRIN3B O60391 1/20 0.36
GRIN1 Q05586 1/20 0.36
GRIN2A Q12879 1/20 0.36
GRIN2B Q13224 1/20 0.36
GRIN2C Q14957 1/20 0.36
GRIN3A Q8TCU5 1/20 0.36
KMT2A Q03164 2/20 0.36
BPTF Q12830 2/20 0.36
NPC1 O15118 1/20 0.36
CYP1A2 P05177 2/20 0.35
CYP2C19 P33261 2/20 0.35
MAPT P10636 2/20 0.35
MEN1 O00255 1/20 0.35
CYP2C9 P11712 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
SCHEMBL5237938 0.88 PANK3 (0.41) PANK3RAB9AL3MBTL1PPARGPPARA
SCHEMBL5233805 0.84 PANK3 (0.39) PANK3RAB9AL3MBTL1PPARGPPARA
SCHEMBL5236755 0.84 MGLL (0.41) PANK3RAB9AKMT2AMAPT
SCHEMBL5237457 0.83 PANK3 (0.41) PANK3KMT2AMEN1HRH3
SCHEMBL5235191 0.82 ALDH1A1 (0.47) PANK3CYP1A2CYP2C19MAPTCYP2C9
SCHEMBL5239779 0.82 MAPT (0.40) RAB9AL3MBTL1KMT2ANPC1CYP2C19
SCHEMBL5238349 0.81 MAPT (0.45) PANK3KMT2ACYP1A2CYP2C19MAPT
SCHEMBL5233791 0.81 PANK3 (0.41) PANK3RAB9APPARGPPARAGRIN2D
SCHEMBL5237292 0.80 KDM4E (0.43) L3MBTL1HRH3KDM4E
SCHEMBL5231072 0.80 MCHR1 (0.41) PANK3

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