SCHEMBL5233376

SCHEMBL5233376

O=C(O)N1CCN(c2ccc(-c3cccc(C(F)(F)F)c3)cc2)CC1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A7 Q99884 2/20 0.58
LMNA P02545 5/20 0.53
HTT P42858 3/20 0.53
ALDH1A1 P00352 3/20 0.52
TSHR P16473 2/20 0.52
NPSR1 Q6W5P4 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
POLB P06746 3/20 0.51
MAPT P10636 4/20 0.51
KDM4E B2RXH2 1/20 0.51
GAA P10253 1/20 0.51
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
MAPK1 P28482 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
MGLL Q99685 1/20 0.50
CA12 O43570 1/20 0.50
CA2 P00918 1/20 0.50
CA9 Q16790 1/20 0.50
TRPV1 Q8NER1 1/20 0.49

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
SCHEMBL5231928 0.86 CA12 (0.66) SLC6A7POLBMEN1KMT2AMAPK1
SCHEMBL631027 0.85 LMNA (0.70) LMNAHTTALDH1A1TSHRNPSR1
SCHEMBL5230452 0.83 SLC6A7 (0.49) SLC6A7LMNAHTTALDH1A1TSHR
SCHEMBL5232330 0.82 MGLL (0.64) SLC6A7LMNAHTTALDH1A1L3MBTL1
SCHEMBL1458650 0.81 CA12 (0.71) MAPTMAPK1SMN1; SMN2CA12CA2
SCHEMBL5239356 0.81 MEN1 (0.68) SLC6A7LMNAALDH1A1TSHRNPSR1
SCHEMBL5237745 0.78 MGLL (0.60) SLC6A7LMNAHTTALDH1A1L3MBTL1
SCHEMBL594530 0.78 ALDH1A1 (0.53) SLC6A7LMNAHTTALDH1A1TSHR
SCHEMBL14341303 0.78 HTR2C (0.70) ALDH1A1MAPT
SCHEMBL5238969 0.77 USP2 (0.59) SLC6A7LMNAHTTALDH1A1TSHR

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 2 patents. 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
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 disclosed