SCHEMBL5237745

SCHEMBL5237745

O=C(O)N1CCCN(c2ccc(-c3cccc(C(F)(F)F)c3)cn2)CC1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 2/20 0.60
KDM4E B2RXH2 5/20 0.52
POLB P06746 1/20 0.52
SLC6A7 Q99884 1/20 0.52
GRIN2B Q13224 6/20 0.49
GRIN1 Q05586 3/20 0.49
CYP2C9 P11712 1/20 0.49
KCNH2 Q12809 1/20 0.49
PKM P14618 1/20 0.49
HTT P42858 4/20 0.48
LMNA P02545 3/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
MAPT P10636 1/20 0.48
CNR2 P34972 1/20 0.46
GALR3 O60755 1/20 0.46
NR2F2 P24468 1/20 0.46
RAB9A P51151 1/20 0.46
MEN1 O00255 1/20 0.46
ALDH1A1 P00352 1/20 0.46
KMT2A Q03164 1/20 0.46

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
SCHEMBL5232330 0.96 MGLL (0.64) MGLLKDM4ESLC6A7GRIN2BGRIN1
SCHEMBL5234185 0.88 KDM4E (0.59) MGLLKDM4EPOLBSLC6A7CYP2C9
SCHEMBL3074677 0.83 KDM4E (0.71) KDM4EPOLBCYP2C9PKMHTT
SCHEMBL5232948 0.83 MGLL (0.60) MGLLKDM4EPOLBSLC6A7CYP2C9
SCHEMBL5236004 0.82 SMN1; SMN2 (0.52) MGLLKDM4EPOLBSLC6A7GRIN2B
SCHEMBL5237599 0.81 EGLN1 (0.55) MGLLKDM4EPKMHTTLMNA
SCHEMBL31590101 0.79 FYN (0.53) MGLLSLC6A7CNR2ALDH1A1L3MBTL1
SCHEMBL5238917 0.79 SMN1; SMN2 (0.56) MGLLKDM4ESLC6A7GRIN2BGRIN1
SCHEMBL3442393 0.79 MGLL (0.58) MGLLPOLBSLC6A7HTTLMNA
SCHEMBL5233253 0.78 KDM4E (0.46) MGLLKDM4EPOLBSLC6A7PKM

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