SCHEMBL5237663

SCHEMBL5237663

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

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 1/20 0.37
FFAR4 Q5NUL3 1/20 0.37
CHRM4 P08173 8/20 0.36
SCN9A Q15858 2/20 0.36
CHRM2 P08172 2/20 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
HRH1 P35367 1/20 0.35
KDM1A O60341 1/20 0.35
MAOB P27338 1/20 0.35
EPHX2 P34913 1/20 0.35
CYP3A4 P08684 1/20 0.34

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
SCHEMBL5238953 0.87 TEK (0.37) CHRM4CHRM2CHRM1PPARDPPARA
SCHEMBL5233790 0.87 CA2 (0.38) PPARDPPARA
SCHEMBL5234847 0.86 KMT2A (0.40)
SCHEMBL5236555 0.86 USP2 (0.41) FFAR4CYP3A4
SCHEMBL5233074 0.85 L3MBTL1 (0.44)
SCHEMBL5236251 0.83 KCNA5 (0.39) KCNA5FFAR4CHRM4SCN9ACHRM2
SCHEMBL5232294 0.82 ALDH1A1 (0.39)
SCHEMBL5236774 0.82 CACNA1G (0.39) CHRM4PPARDPPARA
SCHEMBL5232205 0.82 SLC6A7 (0.41) KDM1AMAOB
SCHEMBL5232377 0.82 SMN1; SMN2 (0.37) CYP3A4

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