SCHEMBL7958876

SCHEMBL7958876

O=[C]c1ccc(OC(F)(F)F)cc1-c1cccc(Cl)n1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM5 P08912 5/20 0.37
SCN10A Q9Y5Y9 1/20 0.35
GPBAR1 Q8TDU6 1/20 0.35
CES1 P23141 1/20 0.35
XDH P47989 1/20 0.35
ADORA2A P29274 1/20 0.35
ADORA1 P30542 1/20 0.35
PIM1 P11309 1/20 0.35
CSNK2A2 P19784 1/20 0.35
CSNK2B P67870 1/20 0.35
PIM3 Q86V86 1/20 0.35
PIM2 Q9P1W9 1/20 0.35
THRA P10827 1/20 0.35
THRB P10828 1/20 0.35
RUNX1 Q01196 1/20 0.34
CBFB Q13951 1/20 0.34
GPR3 P46089 1/20 0.34
P2RX1 P51575 1/20 0.34
ABL1 P00519 1/20 0.34
JAK2 O60674 1/20 0.34

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
SCHEMBL7968051 0.83 HSP90AA1 (0.44) NPBWR1
SCHEMBL7968303 0.78 SCN9A (0.36) GPBAR1JAK2
SCHEMBL7958260 0.78 GPBAR1 (0.36) GPBAR1JAK2
SCHEMBL27955763 0.73 SCN5A (0.51) SCN10AADORA2AABL1
SCHEMBL7971714 0.73 CA1 (0.36) XDHPIM1CSNK2A2CSNK2BPIM3
SCHEMBL7969200 0.73 HSP90AA1 (0.36) GPBAR1
SCHEMBL5537728 0.73 GPR3 (0.41) CHRM5CES1PIM1GPR3
SCHEMBL17034409 0.69 PDE2A (0.44) SCN10AGPR3JAK2EIF4E
SCHEMBL7971991 0.69 KMO (0.38) GPBAR1
SCHEMBL7971895 0.68 CYP3A4 (0.36) GPBAR1JAK2

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
WO-2001017965-A2 CYANOPIPERIDINES AS PESTICIDES SYNGENTA PARTICIPATIONS AG (CH) 2001-03-15 WO disclosed