SCHEMBL9685783

SCHEMBL9685783

CCOCCn1c(CN2CCCN(C)CC2)nc2cccnc21

nearest known ligand 0.64

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 1/20 0.64
CHRM5 P08912 1/20 0.48
CHRM1 P11229 1/20 0.48
CHKA P35790 1/20 0.47
MEN1 O00255 1/20 0.46
USP2 O75604 1/20 0.46
KMT2A Q03164 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
PKM P14618 1/20 0.44
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.41
HIF1A Q16665 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 0.96 SLC6A9 (0.68) SLC6A9CHRM5CHRM1MEN1USP2
SCHEMBL10444904 0.92 SLC6A9 (0.67) SLC6A9CHRM5CHRM1MEN1KMT2A
Fumaric Acid SCHEMBL9634773 0.92 SLC6A9 (0.58) SLC6A9CHRM5CHRM1CHKAMEN1
SCHEMBL9685926 0.89 SLC6A9 (0.68) SLC6A9CHRM5CHRM1MEN1USP2
Fumaric Acid SCHEMBL9635958 0.87 SLC6A9 (0.62) SLC6A9CHRM5CHRM1MEN1USP2
SCHEMBL9635911 0.86 SLC6A9 (0.68) SLC6A9CHRM5CHRM1MEN1KMT2A
SCHEMBL9636330 0.86 SLC6A9 (0.68) SLC6A9CHRM5CHRM1MEN1KMT2A
SCHEMBL9687018 0.86 SLC6A9 (0.60) SLC6A9CHRM5CHRM1MEN1KMT2A
Oxalic Acid SCHEMBL9634632 0.86 SLC6A9 (0.60) SLC6A9CHRM5CHRM1MEN1USP2
Oxalic Acid SCHEMBL9634639 0.86 SLC6A9 (0.60) SLC6A9CHRM5CHRM1MEN1USP2

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 2 patents. 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
EP-0307014-A1 Anti-allergic 2-(heterocyclyl alkyl) imidazo pyridines and 2-(heterocyclyl alkyl) purines JANSSEN PHARMACEUTICA N.V. (BE) 1989-03-15 EP disclosed