SCHEMBL9685926

SCHEMBL9685926

CCOCCn1c(CN2CCN(CC)CC2)nc2cccnc21

nearest known ligand 0.68

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 1/20 0.68
ALDH1A1 P00352 3/20 0.52
KDM4E B2RXH2 1/20 0.44
CHRM5 P08912 1/20 0.44
CHRM1 P11229 1/20 0.44
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
TSHR P16473 1/20 0.43
SMN1; SMN2 Q16637 3/20 0.42
MAPT P10636 1/20 0.42
PKM P14618 1/20 0.42
USP2 O75604 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
LMNA P02545 1/20 0.41
RAB9A P51151 1/20 0.41

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
SCHEMBL9686512 0.93 SLC6A9 (0.68) SLC6A9ALDH1A1CHRM5CHRM1MEN1
SCHEMBL10444904 0.92 SLC6A9 (0.67) SLC6A9ALDH1A1CHRM5CHRM1MEN1
Fumaric Acid SCHEMBL9634661 0.91 SLC6A9 (0.62) SLC6A9ALDH1A1KDM4ECHRM5CHRM1
SCHEMBL9635911 0.90 SLC6A9 (0.68) SLC6A9ALDH1A1KDM4ECHRM5CHRM1
SCHEMBL9636330 0.90 SLC6A9 (0.68) SLC6A9ALDH1A1KDM4ECHRM5CHRM1
SCHEMBL9685783 0.89 SLC6A9 (0.64) SLC6A9ALDH1A1KDM4ECHRM5CHRM1
SCHEMBL9634560 0.89 SLC6A9 (0.67) SLC6A9ALDH1A1KDM4ECHRM5CHRM1
SCHEMBL9635855 0.89 SLC6A9 (0.64) SLC6A9ALDH1A1KDM4ECHRM5CHRM1
SCHEMBL9684705 0.88 SLC6A9 (0.63) SLC6A9ALDH1A1CHRM5CHRM1MEN1
SCHEMBL9635820 0.88 SLC6A9 (0.63) SLC6A9ALDH1A1KDM4ECHRM5CHRM1

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