SCHEMBL15740360

SCHEMBL15740360

O=CC(OC1CCC(Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)CC1)N1CCN(c2ccc3ccccc3n2)CC1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TMEM97 Q5BJF2 6/20 0.36
HRH3 Q9Y5N1 5/20 0.35
ALDH1A1 P00352 3/20 0.34
LMNA P02545 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
KDM4E B2RXH2 2/20 0.34
HPGD P15428 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
SIRT6 Q8N6T7 1/20 0.33
CYP1A2 P05177 2/20 0.33
CES2 O00748 1/20 0.33
ABCB11 O95342 1/20 0.33
GLA P06280 1/20 0.33
CYP3A4 P08684 1/20 0.33
ADORA3 P0DMS8 1/20 0.33
AR P10275 1/20 0.33
CHRM1 P11229 1/20 0.33
CYP2C9 P11712 1/20 0.33
ALOX15 P16050 1/20 0.33
TSHR P16473 1/20 0.33

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
SCHEMBL15740426 0.91 HRH3 (0.42) TMEM97HRH3SIRT6MAPK1
SCHEMBL15740495 0.91 HRH3 (0.34) TMEM97HRH3ALDH1A1LMNASMN1; SMN2
SCHEMBL15740367 0.91 LMNA (0.34) TMEM97HRH3ALDH1A1LMNASMN1; SMN2
SCHEMBL15740411 0.91 HRH3 (0.37) TMEM97HRH3ALDH1A1LMNASMN1; SMN2
SCHEMBL2126360 0.85 SERPINE1 (0.45) HRH3ALDH1A1LMNASMN1; SMN2KDM4E
SCHEMBL2125848 0.85 SERPINE1 (0.37) TMEM97ALDH1A1LMNASMN1; SMN2KDM4E
SCHEMBL2124155 0.85 SERPINE1 (0.37) TMEM97HRH3ALDH1A1LMNASMN1; SMN2
SCHEMBL15740370 0.84 POLB (0.37) TMEM97SMN1; SMN2KDM4EPOLB
SCHEMBL15740364 0.82 SIRT6 (0.41) TMEM97ALDH1A1LMNASMN1; SMN2SIRT6
SCHEMBL15740464 0.82 SIRT6 (0.41) TMEM97ALDH1A1LMNASMN1; SMN2SIRT6

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