SCHEMBL9686541

SCHEMBL9686541

CCOCCn1c(CN2CCN(C)C(C)C2)nc2cccnc21

nearest known ligand 0.62

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 1/20 0.62
RECQL P46063 1/20 0.42
HRH1 P35367 2/20 0.40
KCNH2 Q12809 1/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
TSHR P16473 1/20 0.39
HSD17B10 Q99714 1/20 0.39
TP53 P04637 1/20 0.38
ALDH1A1 P00352 1/20 0.38
CHRM5 P08912 1/20 0.38
CHRM1 P11229 1/20 0.38

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 SCHEMBL9634684 0.92 SLC6A9 (0.57) SLC6A9RECQLHRH1MEN1KMT2A
Oxalic Acid SCHEMBL9635878 0.86 SLC6A9 (0.56) SLC6A9RECQLHRH1MEN1KMT2A
Oxalic Acid SCHEMBL9635874 0.86 SLC6A9 (0.56) SLC6A9RECQLHRH1MEN1KMT2A
SCHEMBL9685926 0.85 SLC6A9 (0.68) SLC6A9MEN1KMT2ATSHRALDH1A1
SCHEMBL9686512 0.85 SLC6A9 (0.68) SLC6A9MEN1KMT2ATSHRALDH1A1
SCHEMBL9686855 0.85 SLC6A9 (0.59) SLC6A9RECQLHRH1KCNH2MEN1
SCHEMBL9634470 0.85 SLC6A9 (0.57) SLC6A9MEN1KMT2ATSHRTP53
SCHEMBL10444904 0.84 SLC6A9 (0.67) SLC6A9MEN1KMT2ATSHRALDH1A1
SCHEMBL9636330 0.82 SLC6A9 (0.68) SLC6A9HRH1MEN1KMT2ATSHR
SCHEMBL9635911 0.82 SLC6A9 (0.68) SLC6A9HRH1MEN1KMT2ATSHR

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