SCHEMBL9687148

SCHEMBL9687148

CCOCCn1c(CN2CCN(C)CC2C)nc2cccnc21

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 2/20 0.55
KCNH2 Q12809 2/20 0.42
MEN1 O00255 1/20 0.39
TSHR P16473 1/20 0.39
KMT2A Q03164 1/20 0.39
LMNA P02545 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
RAB9A P51151 1/20 0.37
ALDH1A1 P00352 1/20 0.37
HRH1 P35367 3/20 0.37
CHRM1 P11229 2/20 0.37
TP53 P04637 2/20 0.36
GLP1R P43220 1/20 0.36
CHRM5 P08912 1/20 0.36
KDM4E B2RXH2 1/20 0.36

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 SCHEMBL9634650 0.92 SLC6A9 (0.51) SLC6A9KCNH2MEN1TSHRKMT2A
SCHEMBL9634470 0.87 SLC6A9 (0.57) SLC6A9MEN1TSHRKMT2ALMNA
SCHEMBL9686512 0.83 SLC6A9 (0.68) SLC6A9MEN1TSHRKMT2ASMN1; SMN2
SCHEMBL9686541 0.82 SLC6A9 (0.62) SLC6A9KCNH2MEN1TSHRKMT2A
SCHEMBL10444904 0.80 SLC6A9 (0.67) SLC6A9MEN1TSHRKMT2ASMN1; SMN2
SCHEMBL9685783 0.80 SLC6A9 (0.64) SLC6A9MEN1KMT2AALDH1A1CHRM1
SCHEMBL9686855 0.79 SLC6A9 (0.59) SLC6A9KCNH2MEN1TSHRKMT2A
SCHEMBL9685926 0.79 SLC6A9 (0.68) SLC6A9MEN1TSHRKMT2ALMNA
SCHEMBL14263836 0.78 SLC6A9 (0.55) SLC6A9MEN1TSHRKMT2ALMNA
SCHEMBL9685805 0.77 SLC6A9 (0.61) SLC6A9MEN1TSHRKMT2AALDH1A1

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
US-4946843-A ANTIALLERGENS JANSSEN PHARMACEUTICA N.V. (BE) 1990-08-07 US disclosed