SCHEMBL15740486

SCHEMBL15740486

O=CC(OC1CCC(Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)CC1)N1CCN(CCc2cc3cc(F)ccc3o2)CC1

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TMEM97 Q5BJF2 8/20 0.37
HRH3 Q9Y5N1 9/20 0.36
AR P10275 2/20 0.33
CHRM2 P08172 2/20 0.31
CHRM4 P08173 2/20 0.31
CHRM5 P08912 2/20 0.31
CHRM1 P11229 2/20 0.31
CHRM3 P20309 2/20 0.31
HRH2 P25021 2/20 0.31
HTR1D P28221 2/20 0.31
HTR2A P28223 2/20 0.31
HRH1 P35367 2/20 0.31
SLC6A3 Q01959 1/20 0.31
HTR1A P08908 1/20 0.31
HTR2B P41595 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
SCHEMBL15740443 0.93 TMEM97 (0.37) TMEM97HRH3CHRM2CHRM4CHRM5
SCHEMBL15740430 0.88 MAPK1 (0.37) TMEM97HRH3ARCHRM1
SCHEMBL15740401 0.88 TMEM97 (0.37) TMEM97HRH3ARCHRM1
SCHEMBL15740499 0.88 TMEM97 (0.40) TMEM97ARHTR2ASLC6A3HTR1A
SCHEMBL15740416 0.87 TMEM97 (0.34) TMEM97HRH3ARCHRM1
SCHEMBL15740465 0.86 MAOA (0.35) TMEM97HRH3AR
SCHEMBL15740427 0.85 TMEM97 (0.34) TMEM97AR
SCHEMBL15740435 0.85 CCR3 (0.38) TMEM97AR
SCHEMBL15740382 0.84 TMEM97 (0.33) TMEM97AR
SCHEMBL15740425 0.83 TMEM97 (0.34) TMEM97ARCHRM1

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