SCHEMBL5239779

SCHEMBL5239779

CNC1(C(C)=O)CN(c2ccc(C)cc2)CCN1C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.40
GLA P06280 1/20 0.40
ALDH1A1 P00352 2/20 0.39
CYP2C9 P11712 1/20 0.39
HPGD P15428 1/20 0.39
CYP2C19 P33261 1/20 0.39
AKR1C3 P42330 1/20 0.39
LMNA P02545 3/20 0.38
KDM4E B2RXH2 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
GAA P10253 1/20 0.38
ALOX15 P16050 1/20 0.38
ALOX12 P18054 1/20 0.38
NPC1 O15118 3/20 0.38
RAB9A P51151 3/20 0.38
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
MCL1 Q07820 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
MMP2 P08253 1/20 0.36

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
SCHEMBL5238186 0.89 CYP2C19 (0.43) MAPTALDH1A1CYP2C9CYP2C19MEN1
SCHEMBL5232288 0.88 MAPT (0.41) MAPTGLAALDH1A1AKR1C3LMNA
SCHEMBL5239092 0.88 MEN1 (0.41) MAPTALDH1A1HPGDAKR1C3LMNA
SCHEMBL5236546 0.87 USP2 (0.46) MAPTALDH1A1CYP2C9HPGDCYP2C19
SCHEMBL5233064 0.86 L3MBTL1 (0.48) MAPTALDH1A1AKR1C3LMNASMN1; SMN2
SCHEMBL5234712 0.85 NOTUM (0.43) MAPTALDH1A1CYP2C19LMNAGAA
SCHEMBL5237326 0.85 CA2 (0.43) MAPTAKR1C3LMNASMN1; SMN2MEN1
SCHEMBL5234836 0.85 MEN1 (0.43) MAPTGLAALDH1A1CYP2C9HPGD
SCHEMBL5235440 0.85 ALDH1A1 (0.40) MAPTALDH1A1CYP2C9HPGDCYP2C19
SCHEMBL5232873 0.83 TSHR (0.44) MAPTALDH1A1LMNASMN1; SMN2GAA

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