SCHEMBL8948403

SCHEMBL8948403

COC(=O)[NH+]([O-])c1ccc(CN2CCC(C(O)(c3ccc(OC(F)(F)F)cc3)c3ccc(OC(F)(F)F)cc3)CC2)cc1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DNMT1 P26358 1/20 0.50
EHMT2 Q96KQ7 1/20 0.50
HRH1 P35367 2/20 0.45
ALDH1A1 P00352 1/20 0.44
TSHR P16473 1/20 0.44
BCHE P06276 1/20 0.44
ACHE P22303 1/20 0.44
BACE1 P56817 1/20 0.44
CHRM2 P08172 1/20 0.44
CHRM1 P11229 1/20 0.44
KCNH2 Q12809 1/20 0.43
NPY2R P49146 1/20 0.43
CHRM4 P08173 4/20 0.42
TEAD1 P28347 2/20 0.42
DRD2 P14416 1/20 0.42
DRD4 P21917 1/20 0.42
LSS P48449 1/20 0.41

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
SCHEMBL8948477 0.91 DNMT1 (0.61) DNMT1EHMT2HRH1KCNH2TEAD1
SCHEMBL7472985 0.83 LMNA (0.56) DNMT1EHMT2HRH1ALDH1A1TSHR
SCHEMBL8199968 0.82 DNMT1 (0.62) DNMT1EHMT2HRH1ALDH1A1TSHR
SCHEMBL7461462 0.81 DNMT1 (0.63) DNMT1EHMT2HRH1ALDH1A1TSHR
SCHEMBL8948410 0.81 DNMT1 (0.53) DNMT1EHMT2HRH1ALDH1A1TSHR
SCHEMBL8792369 0.79 TSHR (0.55) DNMT1EHMT2HRH1ALDH1A1TSHR
SCHEMBL8792457 0.79 NPY2R (0.52) DNMT1EHMT2HRH1ALDH1A1TSHR
SCHEMBL8190619 0.79 KCNH2 (0.53) DNMT1EHMT2HRH1ALDH1A1TSHR
SCHEMBL7477007 0.79 KCNH2 (0.62) HRH1ALDH1A1BCHEACHEBACE1
SCHEMBL8201230 0.79 SIGMAR1 (0.52) DNMT1EHMT2HRH1ALDH1A1KCNH2

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