SCHEMBL15740435

SCHEMBL15740435

O=CC(OC1CCC(Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)CC1)N1CCN(Cc2ccc3cc(F)ccc3c2)CC1

nearest known ligand 0.38

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CCR3 P51677 11/20 0.38
TMEM97 Q5BJF2 4/20 0.38
AR P10275 2/20 0.37
MAPK1 P28482 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
MCHR1 Q99705 2/20 0.35

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
SCHEMBL15740499 0.93 TMEM97 (0.40) TMEM97AR
SCHEMBL15740464 0.88 SIRT6 (0.41) TMEM97ARMAPK1NPSR1
SCHEMBL15740427 0.85 TMEM97 (0.34) TMEM97ARMAPK1NPSR1MCHR1
SCHEMBL15740440 0.85 KCNH2 (0.36) TMEM97ARMAPK1NPSR1
SCHEMBL15740486 0.85 TMEM97 (0.37) TMEM97AR
SCHEMBL15740442 0.85 MAPK1 (0.39) TMEM97MAPK1NPSR1MCHR1
SCHEMBL15740495 0.84 HRH3 (0.34) TMEM97ARMAPK1MCHR1
SCHEMBL15740401 0.83 TMEM97 (0.37) TMEM97ARMAPK1NPSR1
SCHEMBL15740407 0.83 TMEM97 (0.33) TMEM97ARMAPK1NPSR1
SCHEMBL15740382 0.83 TMEM97 (0.33) TMEM97ARMAPK1NPSR1

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