SCHEMBL9687126

SCHEMBL9687126

CCOCCn1c(CN2CCN(CCNC(=O)c3ccccc3)CC2)nc2cccnc21

nearest known ligand 0.60

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 1/20 0.60
TP53 P04637 7/20 0.51
MAPT P10636 1/20 0.51
CHRM5 P08912 1/20 0.45
CHRM1 P11229 1/20 0.45
MEN1 O00255 1/20 0.44
GAA P10253 1/20 0.44
KMT2A Q03164 1/20 0.44
HPGDS O60760 1/20 0.44
DRD2 P14416 2/20 0.43
DRD3 P35462 2/20 0.43
DRD4 P21917 1/20 0.43

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
SCHEMBL9634950 0.90 SLC6A9 (0.53) SLC6A9TP53MAPTMEN1KMT2A
Oxalic Acid SCHEMBL9635944 0.89 SLC6A9 (0.54) SLC6A9TP53MAPTCHRM5CHRM1
Oxalic Acid SCHEMBL9635939 0.89 SLC6A9 (0.54) SLC6A9TP53MAPTCHRM5CHRM1
SCHEMBL9636292 0.88 SLC6A9 (0.55) SLC6A9TP53MAPTCHRM5CHRM1
SCHEMBL9636377 0.87 SLC6A9 (0.55) SLC6A9TP53MAPTCHRM5CHRM1
SCHEMBL9687136 0.87 SLC6A9 (0.55) SLC6A9TP53MAPTCHRM5CHRM1
Oxalic Acid SCHEMBL9634559 0.87 SLC6A9 (0.59) SLC6A9TP53MAPTCHRM5CHRM1
Oxalic Acid SCHEMBL9634553 0.87 SLC6A9 (0.59) SLC6A9TP53MAPTCHRM5CHRM1
SCHEMBL9636222 0.87 SLC6A9 (0.55) SLC6A9TP53MAPTCHRM5CHRM1
Oxalic Acid SCHEMBL9635891 0.86 SLC6A9 (0.52) SLC6A9TP53MAPTCHRM5CHRM1

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