SCHEMBL9687136

SCHEMBL9687136

CCOCCn1c(CN2CCN(CCNC(=O)c3cnccn3)CC2)nc2cccnc21

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 1/20 0.55
DRD2 P14416 1/20 0.47
HTR2A P28223 1/20 0.47
TP53 P04637 4/20 0.42
OPRK1 P41145 1/20 0.41
MAPT P10636 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HTR1A P08908 3/20 0.40
ADRA1A P35348 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
CHRM5 P08912 1/20 0.40
CHRM1 P11229 1/20 0.40

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
SCHEMBL9687126 0.87 SLC6A9 (0.60) SLC6A9DRD2TP53MAPTMEN1
SCHEMBL9636222 0.86 SLC6A9 (0.55) SLC6A9TP53MAPTMEN1KMT2A
SCHEMBL9636377 0.85 SLC6A9 (0.55) SLC6A9TP53OPRK1MAPTADRA1A
SCHEMBL9636292 0.85 SLC6A9 (0.55) SLC6A9TP53MAPTALDH1A1MEN1
Oxalic Acid SCHEMBL9635944 0.83 SLC6A9 (0.54) SLC6A9TP53MAPTALDH1A1MEN1
Oxalic Acid SCHEMBL9635939 0.83 SLC6A9 (0.54) SLC6A9TP53MAPTALDH1A1MEN1
Oxalic Acid SCHEMBL9634553 0.83 SLC6A9 (0.59) SLC6A9TP53MAPTALDH1A1MEN1
Oxalic Acid SCHEMBL9634559 0.83 SLC6A9 (0.59) SLC6A9TP53MAPTALDH1A1MEN1
SCHEMBL9686900 0.83 SLC6A9 (0.60) SLC6A9TP53ALDH1A1MEN1KMT2A
SCHEMBL9634950 0.83 SLC6A9 (0.53) SLC6A9TP53MAPTMEN1KMT2A

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