SCHEMBL382069

SCHEMBL382069

O=CC(OC1CCN(c2ccc(C(F)(F)F)cc2)CC1)N1CCC(Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SERPINE1 P05121 4/20 0.42
SIRT6 Q8N6T7 1/20 0.40
TMEM97 Q5BJF2 5/20 0.36
MAPT P10636 4/20 0.36
MAPK1 P28482 3/20 0.36
MGLL Q99685 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
HTT P42858 3/20 0.36
ALDH1A1 P00352 2/20 0.36
LMNA P02545 2/20 0.36
CYP1A2 P05177 2/20 0.36
CYP2C9 P11712 2/20 0.36
CYP2C19 P33261 2/20 0.36
CYP3A4 P08684 2/20 0.36
AR P10275 2/20 0.36
CES2 O00748 1/20 0.36
ABCB11 O95342 1/20 0.36
GLA P06280 1/20 0.36
ADORA3 P0DMS8 1/20 0.36
CHRM1 P11229 1/20 0.36

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
SCHEMBL15740364 0.87 SIRT6 (0.41) SERPINE1SIRT6TMEM97MAPTMAPK1
SCHEMBL9983972 0.84 SERPINE1 (0.46) SERPINE1SIRT6TMEM97MAPTMAPK1
SCHEMBL2126718 0.83 CCNC (0.40) SIRT6TMEM97MAPTMAPK1HTT
SCHEMBL2126360 0.82 SERPINE1 (0.45) SERPINE1MAPTHTTALDH1A1LMNA
SCHEMBL15740464 0.82 SIRT6 (0.41) SERPINE1SIRT6TMEM97MAPTMAPK1
SCHEMBL15740478 0.82 SIRT6 (0.41) SERPINE1SIRT6TMEM97MAPTMAPK1
SCHEMBL15740352 0.82 SIRT6 (0.41) SIRT6TMEM97MAPTMAPK1NPSR1
SCHEMBL2124654 0.82 MALT1 (0.37) TMEM97MAPK1HTTALDH1A1LMNA
SCHEMBL2126004 0.81 SIRT6 (0.40) SIRT6TMEM97MAPTMAPK1HTT
SCHEMBL15740426 0.80 HRH3 (0.42) SERPINE1SIRT6TMEM97MAPK1NPSR1

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-2408742-A1 ANTHELMINTIC AGENTS AND THEIR USE Intervet International B.V. (NL) 2012-01-25 EP disclosed
WO-2010115688-A1 ANTHELMINTIC AGENTS AND THEIR USE INTERVET INTERNATIONAL B.V. (NL) 2010-10-14 WO disclosed