SCHEMBL5236154

SCHEMBL5236154

CNC1(CC=O)CN(c2ccc(C#N)cc2)CCN1C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.38
PANK3 Q9H999 1/20 0.38
CTSS P25774 1/20 0.37
CTSK P43235 1/20 0.37
KDM4E B2RXH2 1/20 0.36
TP53 P04637 1/20 0.36
KCNH2 Q12809 1/20 0.35
CHRNA10 Q9GZZ6 1/20 0.35
CHRNA9 Q9UGM1 1/20 0.35
MMP2 P08253 1/20 0.35
MMP9 P14780 1/20 0.35
EP300 Q09472 1/20 0.35
SCN9A Q15858 1/20 0.35
PIN1 Q13526 2/20 0.35
CHRM4 P08173 1/20 0.34
GAA P10253 1/20 0.34
MAPT P10636 1/20 0.34
GFER P55789 1/20 0.34
CCR5 P51681 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
SCHEMBL5239788 0.86 MAPT (0.43) KDM4EGAAMAPTGFER
SCHEMBL5238192 0.86 CYP2C19 (0.37) MAPT
SCHEMBL5239098 0.85 MEN1 (0.39) MAPTGFER
SCHEMBL5236555 0.84 USP2 (0.41) POLBTP53PIN1GAAMAPT
SCHEMBL5233074 0.83 L3MBTL1 (0.44) POLBKDM4EGAAMAPTGFER
SCHEMBL5235446 0.83 ALDH1A1 (0.37) MAPT
SCHEMBL5233364 0.81 MAPT (0.39) SCN9AGAAMAPTGFER
SCHEMBL5236998 0.81 KMT2A (0.40) KDM4ETP53GAAMAPT
SCHEMBL5232377 0.81 SMN1; SMN2 (0.37) POLBPANK3CTSSCTSKKDM4E
SCHEMBL5233790 0.80 CA2 (0.38) MMP2MMP9MAPT

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