SCHEMBL5236415

SCHEMBL5236415

CNC1(C(C)=O)CN(c2ccc(F)c(Cl)c2)CCN1C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ADAMTS5 Q9UNA0 2/20 0.40
MMP2 P08253 1/20 0.40
ACACB O00763 1/20 0.38
MMP13 P45452 1/20 0.38
SCN9A Q15858 1/20 0.38
PHGDH O43175 1/20 0.37
MAPT P10636 3/20 0.37
ALDH1A1 P00352 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
KDM4E B2RXH2 1/20 0.37
NPY5R Q15761 1/20 0.37
LMNA P02545 1/20 0.36
HTT P42858 1/20 0.36
MALT1 Q9UDY8 1/20 0.36
TP53 P04637 1/20 0.36
RPS6KB1 P23443 1/20 0.36
ABCG2 Q9UNQ0 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
SCHEMBL5235799 0.90 MAPT (0.47) MAPTALDH1A1SMN1; SMN2KDM4ELMNA
SCHEMBL5239092 0.86 MEN1 (0.41) ADAMTS5MAPTALDH1A1SMN1; SMN2KDM4E
SCHEMBL5236739 0.85 HTR1A (0.44) MAPTALDH1A1SMN1; SMN2KDM4EHTT
SCHEMBL5231416 0.84 NOTUM (0.49) PHGDHMAPTSMN1; SMN2LMNATP53
SCHEMBL5232288 0.83 MAPT (0.41) MAPTALDH1A1SMN1; SMN2KDM4ELMNA
SCHEMBL5235440 0.83 ALDH1A1 (0.40) ADAMTS5MAPTALDH1A1SMN1; SMN2KDM4E
SCHEMBL5232234 0.82 USP2 (0.38) ADAMTS5MMP2SCN9AMAPTALDH1A1
SCHEMBL5239862 0.81 SRD5A2 (0.39) MAPTALDH1A1SMN1; SMN2LMNA
SCHEMBL5234836 0.81 MEN1 (0.43) MAPTALDH1A1SMN1; SMN2KDM4ELMNA
SCHEMBL5239779 0.80 MAPT (0.40) MMP2MMP13MAPTALDH1A1SMN1; 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