SCHEMBL5234475

SCHEMBL5234475

CC(=O)C1(N)CN(c2ccc(-c3cccc(C(F)(F)F)c3)cn2)CCN1C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 1/20 0.48
SLC6A7 Q99884 1/20 0.42
WNT3A P56704 1/20 0.39
DGAT1 O75907 5/20 0.39
MAPT P10636 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
KDM4E B2RXH2 1/20 0.39
BRAF P15056 1/20 0.39
KCNH2 Q12809 2/20 0.38
PARP1 P09874 1/20 0.38
GRIN2B Q13224 5/20 0.38
GRIN1 Q05586 2/20 0.38
SOAT1 P35610 1/20 0.38
IDE P14735 1/20 0.38
PTPN11 Q06124 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
SCHEMBL5233237 0.89 SMN1; SMN2 (0.44) MGLLDGAT1MAPTSMN1; SMN2KDM4E
SCHEMBL5237020 0.85 MGLL (0.47) MGLLSLC6A7WNT3ADGAT1MAPT
SCHEMBL5234482 0.83 MGLL (0.46) MGLLSLC6A7DGAT1KCNH2GRIN2B
SCHEMBL5236708 0.83 KDM1A (0.41) SLC6A7MAPTSMN1; SMN2
SCHEMBL5233010 0.80 MGLL (0.44) MGLLSLC6A7WNT3ADGAT1KDM4E
SCHEMBL5237027 0.79 MGLL (0.44) MGLLSLC6A7WNT3ADGAT1BRAF
SCHEMBL5232330 0.79 MGLL (0.64) MGLLSLC6A7WNT3ADGAT1MAPT
SCHEMBL5237745 0.75 MGLL (0.60) MGLLSLC6A7MAPTSMN1; SMN2KDM4E
SCHEMBL5238349 0.74 MAPT (0.45) MGLLDGAT1MAPTSMN1; SMN2KDM4E
SCHEMBL5233015 0.74 MGLL (0.42) MGLLSLC6A7DGAT1KCNH2GRIN2B

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