SCHEMBL15740465

SCHEMBL15740465

O=CC(OC1CCC(Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)CC1)N1CCN(Cc2cc3cc(OC(F)(F)F)ccc3o2)CC1

nearest known ligand 0.37

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.35
TMEM97 Q5BJF2 4/20 0.35
AR P10275 4/20 0.33
SSTR5 P35346 1/20 0.32
ROCK2 O75116 1/20 0.32
HRH3 Q9Y5N1 2/20 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
SCHEMBL15740430 0.91 MAPK1 (0.37) MAOATMEM97ARHRH3
SCHEMBL15740416 0.91 TMEM97 (0.34) TMEM97ARROCK2HRH3
SCHEMBL15740401 0.90 TMEM97 (0.37) TMEM97ARHRH3
SCHEMBL15740486 0.86 TMEM97 (0.37) TMEM97ARHRH3
SCHEMBL15740443 0.86 TMEM97 (0.37) TMEM97HRH3
SCHEMBL15740425 0.85 TMEM97 (0.34) TMEM97AR
SCHEMBL15708179 0.84 MAOA (0.36) MAOATMEM97ARHRH3
SCHEMBL15727641 0.84 MAOA (0.36) MAOATMEM97ARHRH3
SCHEMBL15740369 0.84 TMEM97 (0.34) TMEM97
SCHEMBL15740349 0.84 SSTR5 (0.34) TMEM97ARSSTR5

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