SCHEMBL5238917

SCHEMBL5238917

NC(=O)COC(=O)N1CCN(c2ccc(-c3cccc(C(F)(F)F)c3)cn2)CC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.56
HPGD P15428 1/20 0.56
MGLL Q99685 2/20 0.56
SLC6A7 Q99884 1/20 0.48
IDE P14735 1/20 0.47
LMNA P02545 6/20 0.46
MAPK1 P28482 2/20 0.46
RAB9A P51151 1/20 0.46
ALDH1A1 P00352 2/20 0.45
WNT3A P56704 1/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
HTT P42858 5/20 0.43
KDM4E B2RXH2 3/20 0.43
HSD17B10 Q99714 1/20 0.43
GRIN1 Q05586 1/20 0.43
GRIN2B Q13224 1/20 0.43
DGAT1 O75907 3/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
MAPT P10636 1/20 0.42

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
SCHEMBL5238733 0.89 SMN1; SMN2 (0.64) SMN1; SMN2HPGDMGLLSLC6A7IDE
SCHEMBL593921 0.88 SMN1; SMN2 (0.64) SMN1; SMN2HPGDMGLLSLC6A7IDE
SCHEMBL593375 0.88 SMN1; SMN2 (0.56) SMN1; SMN2HPGDMGLLSLC6A7IDE
SCHEMBL5236004 0.85 SMN1; SMN2 (0.52) SMN1; SMN2HPGDMGLLSLC6A7IDE
SCHEMBL5232330 0.82 MGLL (0.64) SMN1; SMN2HPGDMGLLSLC6A7IDE
SCHEMBL594736 0.82 LMNA (0.50) SMN1; SMN2HPGDSLC6A7LMNAMAPK1
SCHEMBL5231536 0.79 LMNA (0.70) SMN1; SMN2LMNAMAPK1RAB9AALDH1A1
SCHEMBL5237745 0.79 MGLL (0.60) SMN1; SMN2MGLLSLC6A7LMNARAB9A
SCHEMBL9401009 0.77 ALDH1A1 (0.59) SMN1; SMN2HPGDSLC6A7LMNAMAPK1
SCHEMBL593524 0.77 SMN1; SMN2 (0.73) SMN1; SMN2HPGDMGLLIDELMNA

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