SCHEMBL31367150

SCHEMBL31367150

NCCNCc1ccccc1OCCF

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 14/20 0.52
ALDH1A1 P00352 1/20 0.51
TRPV6 Q9H1D0 1/20 0.48
BCHE P06276 5/20 0.47
ACHE P22303 5/20 0.47
CHRM4 P08173 5/20 0.47
CHRM5 P08912 5/20 0.47
CHRM1 P11229 5/20 0.47
CHRM3 P20309 5/20 0.47
GRIN1 Q05586 4/20 0.47
GRIN2A Q12879 4/20 0.47
RECQL P46063 2/20 0.47
TP53 P04637 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
TSHR P16473 1/20 0.47
THPO P40225 1/20 0.47
LMNA P02545 1/20 0.47
MEN1 O00255 1/20 0.46
POLB P06746 1/20 0.46

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
SCHEMBL10995649 0.84 ALDH1A1 (0.64) CHRM2ALDH1A1BCHEACHEGRIN1
SCHEMBL8670823 0.83 CHRM2 (0.56) CHRM2ALDH1A1BCHEACHECHRM4
SCHEMBL8669649 0.79 ALDH1A1 (0.66) CHRM2ALDH1A1BCHEACHECHRM4
SCHEMBL11727396 0.79 CHRM2 (0.55) CHRM2BCHEACHECHRM4CHRM5
SCHEMBL4909317 0.78 CHRM2 (0.79) CHRM2BCHEACHECHRM4CHRM5
SCHEMBL20852015 0.78 ALDH1A1 (0.64) CHRM2ALDH1A1TRPV6BCHEACHE
SCHEMBL9903529 0.77 CHRM2 (0.52) CHRM2BCHEACHECHRM4CHRM5
SCHEMBL2754989 0.77 CHRM2 (0.52) CHRM2ALDH1A1BCHEACHECHRM4
SCHEMBL12804950 0.77 KCNH2 (0.49) TP53MAPTSMN1; SMN2NPSR1
SCHEMBL18575559 0.76 CA12 (0.54) CHRM2GRIN1GRIN2ATSHR

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
CN-119371424-A Fluorine-18 marked dopamine receptor 2 targeting probe and preparation method and application thereof 中山大学附属第五医院 2025-01-28 CN disclosed