SCHEMBL9843752

SCHEMBL9843752

C#CCN1C(=O)COc2cc(F)c(N3C(=O)CC(C)CC3=O)cc21

nearest known ligand 0.67

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 2/20 0.38
CHRM5 P08912 1/20 0.34
CHRM3 P20309 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C19 P33261 1/20 0.34
MAPT P10636 1/20 0.34
TSHR P16473 1/20 0.33
HTT P42858 1/20 0.33
POLB P06746 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL9843931 0.88 CHRM1 (0.35) CHRM1CHRM5CHRM3TSHRHTT
SCHEMBL903300 0.82
SCHEMBL21202655 0.82 CHRM1 (0.38) CHRM1CHRM5CHRM3TSHRHTT
SCHEMBL19102651 0.81 CHRM1 (0.38) CHRM1CHRM5CHRM3TSHRHTT
SCHEMBL18744565 0.81 CHRM1 (0.38) CHRM1CHRM5CHRM3TSHRHTT
SCHEMBL3141245 0.81 PPOX (0.41) CHRM1CHRM5CHRM3CYP3A4CYP2D6
SCHEMBL16272404 0.81 LMNA (0.36) CHRM1CHRM5CHRM3CYP3A4CYP2C19
SCHEMBL20692953 0.81 NR3C2 (0.35)
Flumioxazin SCHEMBL29539500 0.80 GRM1 (0.37)
Flumioxazin SCHEMBL39699 0.80 GRM1 (0.37)

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
EP-0454444-A1 Glutarimide derivatives and herbicides NISSAN CHEMICAL INDUSTRIES LTD. (JP) 1991-10-30 EP disclosed