SCHEMBL5239092

SCHEMBL5239092

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
LMNA P02545 4/20 0.40
ALDH1A1 P00352 3/20 0.40
DRD2 P14416 3/20 0.40
DRD4 P21917 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
KDM4E B2RXH2 1/20 0.40
MAPT P10636 2/20 0.40
THRB P10828 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
AKR1C3 P42330 5/20 0.39
HPGD P15428 1/20 0.39
HTT P42858 1/20 0.39
MMP14 P50281 1/20 0.39
ADAMTS5 Q9UNA0 1/20 0.39
NOTUM Q6P988 1/20 0.38
CCR1 P32246 1/20 0.37
CA12 O43570 1/20 0.37
CA2 P00918 1/20 0.37

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
SCHEMBL5235440 0.96 ALDH1A1 (0.40) MEN1KMT2ALMNAALDH1A1DRD2
SCHEMBL5239779 0.88 MAPT (0.40) MEN1KMT2ALMNAALDH1A1SMN1; SMN2
SCHEMBL5238186 0.88 CYP2C19 (0.43) MEN1KMT2AALDH1A1MAPTHTT
SCHEMBL5232288 0.87 MAPT (0.41) MEN1KMT2ALMNAALDH1A1SMN1; SMN2
SCHEMBL5239862 0.87 SRD5A2 (0.39) MEN1KMT2ALMNAALDH1A1SMN1; SMN2
SCHEMBL5235799 0.86 MAPT (0.47) MEN1KMT2ALMNAALDH1A1SMN1; SMN2
SCHEMBL5236739 0.86 HTR1A (0.44) MEN1KMT2AALDH1A1SMN1; SMN2KDM4E
SCHEMBL5236546 0.86 USP2 (0.46) MEN1KMT2AALDH1A1SMN1; SMN2MAPT
SCHEMBL5236415 0.86 ADAMTS5 (0.40) LMNAALDH1A1SMN1; SMN2KDM4EMAPT
SCHEMBL5233064 0.85 L3MBTL1 (0.48) MEN1KMT2ALMNAALDH1A1SMN1; SMN2

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