SCHEMBL8948348

SCHEMBL8948348

CC(C)Oc1ccc(CN2CCC(C(O)(c3ccc(OC(F)(F)F)cc3)c3ccc(OC(F)(F)F)cc3)CC2)cc1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 1/20 0.52
ALDH1A1 P00352 1/20 0.51
TSHR P16473 1/20 0.51
KCNH2 Q12809 2/20 0.50
DNMT1 P26358 1/20 0.49
EHMT2 Q96KQ7 1/20 0.49
NPY2R P49146 2/20 0.48
BCHE P06276 3/20 0.47
ACHE P22303 3/20 0.47
BACE1 P56817 3/20 0.47
TEAD1 P28347 2/20 0.47
CCR6 P51684 1/20 0.46
FAAH O00519 1/20 0.45
LMNA P02545 1/20 0.43
CHRM2 P08172 1/20 0.43
CHRM1 P11229 1/20 0.43

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
SCHEMBL7472985 0.88 LMNA (0.56) HRH1ALDH1A1TSHRKCNH2DNMT1
SCHEMBL8948429 0.87 DNMT1 (0.50) HRH1ALDH1A1TSHRKCNH2DNMT1
SCHEMBL8792369 0.86 TSHR (0.55) HRH1ALDH1A1TSHRKCNH2DNMT1
SCHEMBL8190619 0.85 KCNH2 (0.53) HRH1ALDH1A1TSHRKCNH2DNMT1
SCHEMBL7477007 0.85 KCNH2 (0.62) HRH1ALDH1A1KCNH2NPY2RBCHE
Hydrochloric Acid SCHEMBL7473216 0.84 KCNH2 (0.60) HRH1KCNH2NPY2RBCHEACHE
SCHEMBL8791438 0.84 TSHR (0.53) HRH1ALDH1A1TSHRKCNH2DNMT1
SCHEMBL8791275 0.83 KCNH2 (0.60) HRH1ALDH1A1TSHRKCNH2DNMT1
SCHEMBL8948483 0.83 KCNH2 (0.51) HRH1ALDH1A1TSHRKCNH2DNMT1
SCHEMBL8948400 0.83 DNMT1 (0.58) HRH1ALDH1A1TSHRKCNH2DNMT1

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