SCHEMBL5234482

SCHEMBL5234482

NC1(CC=O)CN(c2ccc(-c3cccc(C(F)(F)F)c3)cn2)CCN1C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 1/20 0.46
SLC6A7 Q99884 1/20 0.42
GRIN2B Q13224 8/20 0.40
KCNH2 Q12809 7/20 0.39
CYP2C9 P11712 3/20 0.39
GRIN1 Q05586 1/20 0.39
DGAT1 O75907 7/20 0.39
CYP3A4 P08684 1/20 0.39
APP P05067 1/20 0.38
DRD2 P14416 1/20 0.38
ADRA1A P35348 1/20 0.38
DRD3 P35462 1/20 0.38

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
SCHEMBL5233246 0.90 MGLL (0.42) MGLLSLC6A7KCNH2CYP2C9DGAT1
SCHEMBL5237027 0.85 MGLL (0.44) MGLLSLC6A7GRIN2BKCNH2CYP2C9
SCHEMBL5236715 0.83 KDM1A (0.39) SLC6A7GRIN2BKCNH2CYP2C9GRIN1
SCHEMBL5234475 0.83 MGLL (0.48) MGLLSLC6A7GRIN2BKCNH2GRIN1
SCHEMBL5233015 0.81 MGLL (0.42) MGLLSLC6A7GRIN2BKCNH2CYP2C9
SCHEMBL5237020 0.78 MGLL (0.47) MGLLSLC6A7GRIN2BKCNH2GRIN1
SCHEMBL5232330 0.77 MGLL (0.64) MGLLSLC6A7GRIN2BKCNH2CYP2C9
SCHEMBL5238354 0.75 MAPT (0.40) MGLLKCNH2CYP2C9DGAT1CYP3A4
SCHEMBL5236239 0.74 SMN1; SMN2 (0.41) MGLLKCNH2CYP2C9DGAT1CYP3A4
SCHEMBL5237745 0.73 MGLL (0.60) MGLLSLC6A7GRIN2BKCNH2CYP2C9

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