SCHEMBL15740469

SCHEMBL15740469

O=CC(OC1CCC(Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)CC1)N1CCN(c2nc3cc(C(F)(F)F)ccc3s2)CC1

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 2/20 0.34
PCSK9 Q8NBP7 1/20 0.32
KCNH2 Q12809 2/20 0.32
TMEM97 Q5BJF2 3/20 0.32
MAPK1 P28482 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
SIRT6 Q8N6T7 1/20 0.31

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
SCHEMBL15740404 0.88 TMEM97 (0.36) CYP2C19TMEM97MAPK1NPSR1
SCHEMBL15740408 0.85 PTGES (0.38) CYP2C19KCNH2TMEM97MAPK1NPSR1
SCHEMBL15740426 0.85 HRH3 (0.42) TMEM97MAPK1NPSR1SIRT6
SCHEMBL15740392 0.84 PCSK9 (0.35) PCSK9
SCHEMBL15740364 0.84 SIRT6 (0.41) CYP2C19KCNH2TMEM97MAPK1NPSR1
SCHEMBL2126360 0.83 SERPINE1 (0.45)
SCHEMBL15708028 0.83 ENPP2 (0.40) PCSK9
SCHEMBL15727618 0.83 ENPP2 (0.40) PCSK9
SCHEMBL15740405 0.82 AR (0.34) CYP2C19KCNH2TMEM97MAPK1SIRT6
SCHEMBL15740437 0.82 MAPK1 (0.38) CYP2C19KCNH2TMEM97MAPK1NPSR1

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