SCHEMBL15740432

SCHEMBL15740432

O=CC(OC1CCC(Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)CC1)N1CCN(Cc2nc3cc(C(F)(F)F)ccc3o2)CC1

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
TMEM97 Q5BJF2 8/20 0.34
SSTR5 P35346 2/20 0.32
PIM1 P11309 1/20 0.30
AKR1B1 P15121 1/20 0.30
SERPINE1 P05121 1/20 0.30
PTGES O14684 1/20 0.30
ROCK2 O75116 1/20 0.30

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
SCHEMBL15740427 0.93 TMEM97 (0.34) MAPK1NPSR1TMEM97SSTR5
SCHEMBL15740380 0.93 SSTR5 (0.34) MAPK1NPSR1TMEM97SSTR5PTGES
SCHEMBL15740408 0.89 PTGES (0.38) MAPK1NPSR1TMEM97SERPINE1PTGES
SCHEMBL15740430 0.88 MAPK1 (0.37) MAPK1NPSR1TMEM97PIM1SERPINE1
SCHEMBL15740437 0.87 MAPK1 (0.38) MAPK1NPSR1TMEM97SERPINE1ROCK2
SCHEMBL15740407 0.86 TMEM97 (0.33) MAPK1NPSR1TMEM97
SCHEMBL15740443 0.85 TMEM97 (0.37) MAPK1NPSR1TMEM97PIM1
SCHEMBL15740442 0.85 MAPK1 (0.39) MAPK1NPSR1TMEM97SERPINE1ROCK2
SCHEMBL15740388 0.85 MAPK1 (0.38) MAPK1NPSR1TMEM97PIM1SERPINE1
SCHEMBL15740475 0.85 MAPK1 (0.37) MAPK1NPSR1TMEM97SERPINE1ROCK2

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