SCHEMBL15740499

SCHEMBL15740499

O=CC(OC1CCC(Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)CC1)N1CCN(CCc2ccc3cc(F)ccc3c2)CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TMEM97 Q5BJF2 8/20 0.40
AR P10275 3/20 0.36
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA4 P22748 1/20 0.35
CA5A P35218 1/20 0.35
CA7 P43166 1/20 0.35
CA9 Q16790 1/20 0.35
CA13 Q8N1Q1 1/20 0.35
CA14 Q9ULX7 1/20 0.35
KCNH2 Q12809 2/20 0.35
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35
SLC6A3 Q01959 1/20 0.35
KCNJ1 P48048 1/20 0.33
MC4R P32245 1/20 0.32
HTR1A P08908 1/20 0.32
DRD2 P14416 1/20 0.32
HTR2A P28223 1/20 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
SCHEMBL15740435 0.93 CCR3 (0.38) TMEM97AR
SCHEMBL15740486 0.88 TMEM97 (0.37) TMEM97ARSLC6A3HTR1AHTR2A
SCHEMBL15740464 0.86 SIRT6 (0.41) TMEM97ARKCNH2
SCHEMBL15740495 0.82 HRH3 (0.34) TMEM97ARKCNH2SLC6A4
SCHEMBL15740420 0.82 TMEM97 (0.36) TMEM97AR
SCHEMBL15740405 0.82 AR (0.34) TMEM97ARKCNH2
SCHEMBL15740443 0.81 TMEM97 (0.37) TMEM97SLC6A3HTR2A
SCHEMBL15740440 0.81 KCNH2 (0.36) TMEM97ARKCNH2
SCHEMBL15740427 0.81 TMEM97 (0.34) TMEM97ARKCNH2
SCHEMBL15740404 0.80 TMEM97 (0.36) TMEM97

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