SCHEMBL9686548

SCHEMBL9686548

CCOCCn1c(CN2CCN(C3CCCCC3)CC2)nc2cccnc21

nearest known ligand 0.64

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 1/20 0.64
PKM P14618 1/20 0.42
CHRM5 P08912 1/20 0.41
CHRM1 P11229 1/20 0.41
KDM4E B2RXH2 1/20 0.41
LMNA P02545 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HRH1 P35367 4/20 0.40
HSD17B10 Q99714 1/20 0.40
KCNH2 Q12809 2/20 0.40
ALDH1A1 P00352 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
MAPT P10636 1/20 0.39

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
Fumaric Acid SCHEMBL9634735 0.92 SLC6A9 (0.58) SLC6A9PKMCHRM5CHRM1KDM4E
SCHEMBL10444904 0.88 SLC6A9 (0.67) SLC6A9PKMCHRM5CHRM1SMN1; SMN2
SCHEMBL9685926 0.87 SLC6A9 (0.68) SLC6A9PKMCHRM5CHRM1KDM4E
SCHEMBL9686512 0.87 SLC6A9 (0.68) SLC6A9PKMCHRM5CHRM1SMN1; SMN2
SCHEMBL9685783 0.85 SLC6A9 (0.64) SLC6A9PKMCHRM5CHRM1KDM4E
SCHEMBL9636330 0.84 SLC6A9 (0.68) SLC6A9CHRM5CHRM1KDM4EHRH1
SCHEMBL9635911 0.84 SLC6A9 (0.68) SLC6A9CHRM5CHRM1KDM4ESMN1; SMN2
SCHEMBL9634560 0.83 SLC6A9 (0.67) SLC6A9CHRM5CHRM1KDM4ESMN1; SMN2
SCHEMBL9635855 0.83 SLC6A9 (0.64) SLC6A9PKMCHRM5CHRM1KDM4E
SCHEMBL9684705 0.82 SLC6A9 (0.63) SLC6A9PKMCHRM5CHRM1SMN1; SMN2

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-0307014-B1 ANTI-ALLERGIC 2-(HETEROCYCLYL ALKYL) IMIDAZO PYRIDINES AND 2-(HETEROCYCLYL ALKYL) PURINES JANSSEN PHARMACEUTICA N.V. (BE) 1992-12-09 EP disclosed