SCHEMBL7976548

SCHEMBL7976548

OC(c1ccc2c(c1)OC(F)(F)O2)(c1ccc2c(c1)OC(F)(F)O2)C1CCN(Cc2ccc(Oc3ccccn3)cc2)CC1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.46
HRH1 P35367 1/20 0.45
DRD4 P21917 1/20 0.41
CHRM2 P08172 2/20 0.41
CHRM1 P11229 2/20 0.41
DNMT1 P26358 1/20 0.40
EHMT2 Q96KQ7 1/20 0.40
FAAH O00519 4/20 0.39
MEN1 O00255 3/20 0.38
JAK2 O60674 1/20 0.38
JAK1 P23458 1/20 0.38
TYK2 P29597 1/20 0.38
JAK3 P52333 1/20 0.38
CYP2D6 P10635 1/20 0.38
DRD2 P14416 2/20 0.38

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
SCHEMBL7990925 0.91 KCNH2 (0.45) KCNH2HRH1DRD4CHRM2CHRM1
SCHEMBL7467030 0.86 DNMT1 (0.53) KCNH2HRH1DNMT1EHMT2DRD2
SCHEMBL7994384 0.86 KCNH2 (0.53) KCNH2HRH1DRD4CHRM2CHRM1
SCHEMBL7990886 0.84 KCNH2 (0.53) KCNH2HRH1DRD4CHRM2CHRM1
SCHEMBL7472545 0.75 DNMT1 (0.58) KCNH2HRH1DNMT1EHMT2
SCHEMBL7990602 0.73 KCNH2 (0.45) KCNH2HRH1DRD4CHRM2CHRM1
SCHEMBL7976493 0.72 KCNH2 (0.45) KCNH2HRH1DRD4DNMT1EHMT2
SCHEMBL5814284 0.71 CARM1 (0.50) DRD4DRD2
SCHEMBL8791275 0.71 KCNH2 (0.60) KCNH2HRH1DRD4CHRM2CHRM1
SCHEMBL3541460 0.71 SLC6A5 (0.44) KCNH2DRD2

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-6184234-B1 EFFECTIVE AGRICULTURAL PESTICIDE FOR TOBACCO, BEETS, BEANS, CABBAGE CROPS FMC CORPORATION 2001-02-06 US claimed