SCHEMBL9634989

SCHEMBL9634989

CN1CCN(Cc2nc3cccnc3n2CCOCc2ccccc2)CC1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 1/20 0.57
CHRM5 P08912 1/20 0.52
CHRM1 P11229 1/20 0.52
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
TP53 P04637 3/20 0.47
ALDH1A1 P00352 3/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
RAB9A P51151 2/20 0.47
ALOX15 P16050 2/20 0.47
KDM4E B2RXH2 1/20 0.47
MAPT P10636 1/20 0.47
ALOX12 P18054 1/20 0.47
NFKB1 P19838 1/20 0.47
NFKB2 Q00653 1/20 0.47
RELA Q04206 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
USP2 O75604 1/20 0.46

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 SCHEMBL9635941 0.93 CHRM5 (0.53) SLC6A9CHRM5CHRM1MEN1KMT2A
SCHEMBL9686512 0.87 SLC6A9 (0.68) SLC6A9CHRM5CHRM1MEN1KMT2A
SCHEMBL9634569 0.83 SLC6A9 (0.54) SLC6A9CHRM5CHRM1MEN1KMT2A
SCHEMBL9685783 0.83 SLC6A9 (0.64) SLC6A9CHRM5CHRM1MEN1KMT2A
SCHEMBL9685827 0.83 SLC6A9 (0.54) SLC6A9CHRM5CHRM1MEN1KMT2A
Fumaric Acid SCHEMBL9635958 0.81 SLC6A9 (0.62) SLC6A9CHRM5CHRM1MEN1KMT2A
SCHEMBL9685926 0.81 SLC6A9 (0.68) SLC6A9CHRM5CHRM1MEN1KMT2A
SCHEMBL9634955 0.80 CHRM5 (0.57) SLC6A9CHRM5CHRM1MEN1KMT2A
Oxalic Acid SCHEMBL9634639 0.80 SLC6A9 (0.60) SLC6A9CHRM5CHRM1MEN1KMT2A
Oxalic Acid SCHEMBL9634632 0.80 SLC6A9 (0.60) SLC6A9CHRM5CHRM1MEN1KMT2A

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 4 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