SCHEMBL9634569

SCHEMBL9634569

C#CCOCCn1c(CN2CCN(C)CC2)nc2cccnc21

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 1/20 0.54
CHRM5 P08912 1/20 0.48
CHRM1 P11229 1/20 0.48
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
USP2 O75604 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
GRM2 Q14416 2/20 0.39
CHKA P35790 1/20 0.38
TP53 P04637 1/20 0.38
ALDH1A1 P00352 2/20 0.37
HIF1A Q16665 1/20 0.37
KDM4E B2RXH2 1/20 0.36
HTR3E A5X5Y0 1/20 0.36
HTR3B O95264 1/20 0.36
HTR1A P08908 1/20 0.36
HTR2C P28335 1/20 0.36
HTR3A P46098 1/20 0.36
HTR3D Q70Z44 1/20 0.36
HTR3C Q8WXA8 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
SCHEMBL9686512 0.87 SLC6A9 (0.68) SLC6A9CHRM5CHRM1KMT2AMEN1
SCHEMBL10499016 0.84 MEN1 (0.63) KMT2AMEN1USP2L3MBTL1GRM2
SCHEMBL9685827 0.83 SLC6A9 (0.54) SLC6A9CHRM5CHRM1KMT2AMEN1
SCHEMBL9685783 0.83 SLC6A9 (0.64) SLC6A9CHRM5CHRM1KMT2AMEN1
SCHEMBL9634989 0.83 SLC6A9 (0.57) SLC6A9CHRM5CHRM1KMT2AMEN1
SCHEMBL9685926 0.81 SLC6A9 (0.68) SLC6A9CHRM5CHRM1KMT2AMEN1
SCHEMBL10498924 0.80 MEN1 (0.58) KMT2AMEN1USP2L3MBTL1GRM2
SCHEMBL9634955 0.80 CHRM5 (0.57) SLC6A9CHRM5CHRM1KMT2AMEN1
Fumaric Acid SCHEMBL9635958 0.79 SLC6A9 (0.62) SLC6A9CHRM5CHRM1KMT2AMEN1
SCHEMBL10444904 0.79 SLC6A9 (0.67) SLC6A9CHRM5CHRM1KMT2AMEN1

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 5 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-5086056-A Treating allergic diseases JANSSEN PHARMACEUTICA N.V. (BE) 1992-02-04 US disclosed
US-5011842-A Antihistamines JANSSEN PHARMACEUTICA N.V. (BE) 1991-04-30 US disclosed
US-4946843-A ANTIALLERGENS JANSSEN PHARMACEUTICA N.V. (BE) 1990-08-07 US 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