SCHEMBL8792146

SCHEMBL8792146

COc1cccc(OC)c1CN1CCC(C(O)(c2ccc(OC(F)(F)F)cc2)c2ccc(OC(F)(F)F)cc2)CC1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CCR6 P51684 1/20 0.49
KCNH2 Q12809 1/20 0.49
PAX8 Q06710 1/20 0.48
NPY2R P49146 1/20 0.47
CACNA1B Q00975 2/20 0.46
HRH1 P35367 1/20 0.44
HCRTR1 O43613 5/20 0.44
HCRTR2 O43614 5/20 0.44
RORC P51449 3/20 0.43
CYP2J2 P51589 1/20 0.43
CACNA1C Q13936 1/20 0.43
POLB P06746 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
CYP3A4 P08684 1/20 0.42

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 0.83 LMNA (0.56) CCR6KCNH2NPY2RHRH1CYP2J2
SCHEMBL7477007 0.81 KCNH2 (0.62) CCR6KCNH2NPY2RHRH1
SCHEMBL8791188 0.81 HRH1 (0.47) CCR6KCNH2NPY2RHRH1HCRTR1
Hydrochloric Acid SCHEMBL7473216 0.80 KCNH2 (0.60) CCR6KCNH2NPY2RHRH1
SCHEMBL8908182 0.78 NPY2R (0.48) CCR6KCNH2NPY2RHRH1
SCHEMBL8791275 0.77 KCNH2 (0.60) CCR6KCNH2NPY2RHRH1
SCHEMBL7472391 0.77 HRH1 (0.57) CCR6KCNH2HRH1CYP2J2
SCHEMBL8792369 0.77 TSHR (0.55) CCR6KCNH2NPY2RHRH1
SCHEMBL8190619 0.76 KCNH2 (0.53) CCR6KCNH2NPY2RHRH1
SCHEMBL8948348 0.76 HRH1 (0.52) CCR6KCNH2NPY2RHRH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0748159-A4 INSECTICIDAL N-(SUBSTITUTED ARYLMETHYL)-4- BIS(SUBSTITUTED PHENYL)METHYL]PIPERIDINES FMC CORP (US) 1997-11-19 EP disclosed
US-5639763-A FOR AGRICULTURAL APPLICATIONS FMC CORPORATION (US) 1997-06-17 US disclosed
EP-0748159-A1 INSECTICIDAL N-(SUBSTITUTED ARYLMETHYL)-4- BIS(SUBSTITUTED PHENYL)METHYL]PIPERIDINES FMC CORPORATION (US) 1996-12-18 EP disclosed
US-5569664-A AGRICULTURAL INSECTICIDES FMC CORPORATION (US) 1996-10-29 US disclosed
WO-1995023507-A1 INSECTICIDAL N-(SUBSTITUTED ARYLMETHYL)-4-[BIS(SUBSTITUTED PHENYL)METHYL]PIPERIDINES FMC CORPORATION (US) 1995-09-08 WO disclosed