SCHEMBL8948394

SCHEMBL8948394

COC(=O)Nc1ccc(C[N+]2([O-])CCC(C(O)(c3ccc(OC(F)(F)F)cc3)c3ccc(OC(F)(F)F)cc3)CC2)cc1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPY2R P49146 1/20 0.46
TRPV1 Q8NER1 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
DNMT1 P26358 1/20 0.40
EHMT2 Q96KQ7 1/20 0.40
EPHX2 P34913 9/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
EPHX1 P07099 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
FAAH O00519 1/20 0.39
CCR6 P51684 1/20 0.39
KCNH2 Q12809 1/20 0.39
GCGR P47871 1/20 0.38

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
SCHEMBL8948474 0.90 DNMT1 (0.49) NPY2RMEN1KMT2ADNMT1EHMT2
SCHEMBL8199968 0.81 DNMT1 (0.62) NPY2RDNMT1EHMT2EPHX2KCNH2
SCHEMBL8792330 0.81 KCNH2 (0.42) NPY2RMEN1KMT2AEPHX2L3MBTL1
SCHEMBL8948324 0.79 CCR6 (0.40) NPY2RCCR6KCNH2
SCHEMBL13897271 0.79 CCR6 (0.39) NPY2RTRPV1EPHX2CCR6KCNH2
SCHEMBL8909049 0.78 CCR6 (0.39) NPY2RCCR6KCNH2
SCHEMBL13897176 0.76 KCNH2 (0.38) NPY2RMEN1KMT2ACCR6KCNH2
SCHEMBL13897272 0.76 CCR6 (0.38) NPY2RCCR6KCNH2
SCHEMBL8485996 0.76 CCR6 (0.38) NPY2REPHX2CCR6KCNH2
SCHEMBL13897202 0.74 CCR6 (0.38) NPY2RCCR6KCNH2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5569664-A AGRICULTURAL INSECTICIDES FMC CORPORATION (US) 1996-10-29 US claimed