SCHEMBL8948324

SCHEMBL8948324

[O-][N+]1(Cc2ccc(OCC3CC3)cc2)CCC(C(O)(c2ccc(OC(F)(F)F)cc2)c2ccc(OC(F)(F)F)cc2)CC1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CCR6 P51684 1/20 0.40
KCNH2 Q12809 1/20 0.40
NPY2R P49146 1/20 0.39
DRD4 P21917 1/20 0.35
KDM1A O60341 1/20 0.34
MAOB P27338 1/20 0.34
CHRNA7 P36544 1/20 0.34
HCRTR1 O43613 1/20 0.34
HCRTR2 O43614 1/20 0.34
PTGIR P43119 1/20 0.33
PARP15 Q460N3 1/20 0.33
PARP10 Q53GL7 1/20 0.33
PARP2 Q9UGN5 1/20 0.33
CNR1 P21554 1/20 0.33
CXCR3 P49682 1/20 0.33
ACACB O00763 1/20 0.32
PDK2 Q15119 1/20 0.32

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
SCHEMBL7995779 0.92 PTGES (0.36) KCNH2NPY2RMAOBCHRNA7PARP15
SCHEMBL13897176 0.88 KCNH2 (0.38) CCR6KCNH2NPY2RDRD4
SCHEMBL8792330 0.87 KCNH2 (0.42) CCR6KCNH2NPY2RHCRTR1HCRTR2
SCHEMBL8909049 0.86 CCR6 (0.39) CCR6KCNH2NPY2RDRD4MAOB
SCHEMBL13897193 0.83 MMP9 (0.40) CCR6KCNH2NPY2RDRD4
SCHEMBL13897271 0.82 CCR6 (0.39) CCR6KCNH2NPY2RDRD4
SCHEMBL8948394 0.79 NPY2R (0.46) CCR6KCNH2NPY2R
SCHEMBL8792733 0.79 KCNH2 (0.50) KCNH2NPY2RDRD4
SCHEMBL7983659 0.78 CYP1A1 (0.40) KCNH2NPY2RMAOB
SCHEMBL8485996 0.78 CCR6 (0.38) CCR6KCNH2NPY2R

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
US-5569664-A AGRICULTURAL INSECTICIDES FMC CORPORATION (US) 1996-10-29 US claimed
WO-1995023507-A1 INSECTICIDAL N-(SUBSTITUTED ARYLMETHYL)-4-[BIS(SUBSTITUTED PHENYL)METHYL]PIPERIDINES FMC CORPORATION (US) 1995-09-08 WO claimed