SCHEMBL5237657

SCHEMBL5237657

CNC1(C(C)=O)CN(c2ccc(-c3ccc(OC(F)(F)F)cc3)cc2)CCN1C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 1/20 0.39
FFAR4 Q5NUL3 1/20 0.39
CHRM4 P08173 6/20 0.37
SCN9A Q15858 2/20 0.36
MAP4K1 Q92918 1/20 0.36
EPHX2 P34913 1/20 0.35
TP53 P04637 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
GPR119 Q8TDV5 1/20 0.35
BRD4 O60885 1/20 0.35
CREBBP Q92793 1/20 0.35
AURKA O14965 1/20 0.35
TPX2 Q9ULW0 1/20 0.35
CHRM2 P08172 1/20 0.35
CHRM5 P08912 1/20 0.35
CHRM1 P11229 1/20 0.35
CHRM3 P20309 1/20 0.35
PPARD Q03181 1/20 0.35
PPARA Q07869 1/20 0.35
HRH2 P25021 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
SCHEMBL5238939 0.86 MCHR1 (0.39) CHRM4CHRM2CHRM1PPARDPPARA
SCHEMBL5234836 0.85 MEN1 (0.43) TP53SMN1; SMN2
SCHEMBL5236546 0.84 USP2 (0.46) TP53SMN1; SMN2
SCHEMBL5236995 0.84 KMT2A (0.42) TP53SMN1; SMN2
SCHEMBL5233064 0.83 L3MBTL1 (0.48) SMN1; SMN2
SCHEMBL5236242 0.83 KCNA5 (0.40) KCNA5FFAR4CHRM4SCN9AMAP4K1
SCHEMBL5237326 0.82 CA2 (0.43) SMN1; SMN2PPARDPPARA
SCHEMBL5235440 0.82 ALDH1A1 (0.40) SMN1; SMN2
SCHEMBL5232372 0.81 ALDH1A1 (0.41) TP53SMN1; SMN2
SCHEMBL5236765 0.81 CACNA1G (0.39) CHRM4PPARDPPARA

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