SCHEMBL15740418

SCHEMBL15740418

O=CC(OC1CCC(Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)CC1)N1CCN(Cc2cc3cc(Cl)cc(Cl)c3o2)CC1

nearest known ligand 0.34

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TMEM97 Q5BJF2 8/20 0.34
MAPK1 P28482 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
SUV39H2 Q9H5I1 1/20 0.32

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
SCHEMBL15740416 0.90 TMEM97 (0.34) TMEM97MAPK1NPSR1SUV39H2
SCHEMBL15740369 0.90 TMEM97 (0.34) TMEM97MAPK1NPSR1SUV39H2
SCHEMBL15740401 0.86 TMEM97 (0.37) TMEM97MAPK1NPSR1
SCHEMBL15740430 0.85 MAPK1 (0.37) TMEM97MAPK1NPSR1
SCHEMBL15724839 0.84 TMEM97 (0.34) TMEM97MAPK1NPSR1SUV39H2
SCHEMBL15708167 0.84 TMEM97 (0.34) TMEM97MAPK1NPSR1SUV39H2
SCHEMBL15740380 0.84 SSTR5 (0.34) TMEM97MAPK1NPSR1
SCHEMBL15740465 0.84 MAOA (0.35) TMEM97
SCHEMBL15740425 0.83 TMEM97 (0.34) TMEM97MAPK1NPSR1
SCHEMBL15740354 0.82 TMEM97 (0.34) TMEM97MAPK1NPSR1

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-2922845-A2 ANTHELMINTIC COMPOUNDS AND COMPOSITIONS AND METHOD OF USING THEREOF Merial, Inc. (US) 2015-09-30 EP disclosed
WO-2014081697-A2 ANTHELMINTIC COMPOUNDS AND COMPOSITIONS AND METHOD OF USING THEREOF MERIAL LIMITED (US) 2014-05-30 WO disclosed