Sugi Predict

Sugi Predict / Compounds / SCHEMBL15740407

SCHEMBL15740407

SCHEMBL15740407

O=CC(OC1CCC(Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)CC1)N1CCN(Cc2nc3cc(F)cc(F)c3o2)CC1

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ TMEM97 Q5BJF2 8/20 0.33
▸ AR P10275 2/20 0.31
▸ GPR6 P46095 1/20 0.30
▸ MAPK1 P28482 1/20 0.30
▸ NPSR1 Q6W5P4 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 0.90 TMEM97 (0.34) TMEM97ARGPR6MAPK1NPSR1
SCHEMBL15740432 0.86 MAPK1 (0.36) TMEM97MAPK1NPSR1
SCHEMBL15740380 0.86 SSTR5 (0.34) TMEM97GPR6MAPK1NPSR1
SCHEMBL15708015 0.85 ENPP2 (0.36) TMEM97ARGPR6
SCHEMBL15740401 0.83 TMEM97 (0.37) TMEM97ARMAPK1NPSR1
SCHEMBL15740435 0.83 CCR3 (0.38) TMEM97ARMAPK1NPSR1
SCHEMBL15740440 0.82 KCNH2 (0.36) TMEM97ARGPR6MAPK1NPSR1
SCHEMBL15740418 0.81 TMEM97 (0.34) TMEM97MAPK1NPSR1
SCHEMBL15740486 0.81 TMEM97 (0.37) TMEM97AR
SCHEMBL15740425 0.80 TMEM97 (0.34) 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