SCHEMBL18290474

SCHEMBL18290474

O=C(c1ccccc1)N(Cc1ccccc1)[C@@H]1CCCOC1

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AGER Q15109 3/20 0.60
MTNR1A P48039 1/20 0.60
CHRM2 P08172 1/20 0.56
CHRM3 P20309 1/20 0.56
ALDH1A1 P00352 3/20 0.48
HSD17B10 Q99714 1/20 0.48
LMNA P02545 1/20 0.48
SLC6A9 P48067 2/20 0.47
OPRM1 P35372 2/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
SMYD3 Q9H7B4 1/20 0.42
CYP2C19 P33261 1/20 0.42
TP53 P04637 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL18289567 0.78 CHRM2 (0.49) AGERMTNR1ACHRM2CHRM3ALDH1A1
SCHEMBL18279333 0.78 CHRM2 (0.49) AGERMTNR1ACHRM2CHRM3ALDH1A1
SCHEMBL19021586 0.77 KDM4E (0.41) AGERMTNR1AALDH1A1OPRM1MEN1
SCHEMBL13503843 0.75 CHRM2 (0.65) AGERMTNR1ACHRM2CHRM3ALDH1A1
SCHEMBL1169839 0.75 AGER (1.00) AGERMTNR1ACHRM2CHRM3ALDH1A1
SCHEMBL95632 0.75 AGER (0.76) AGERMTNR1ACHRM2CHRM3ALDH1A1
SCHEMBL17606640 0.75 LMNA (0.50) AGERMTNR1ACHRM2CHRM3HSD17B10
SCHEMBL21985921 0.74 ALDH1A1 (0.39) AGERMTNR1AALDH1A1HSD17B10LMNA
SCHEMBL13503838 0.72 CHRM2 (0.61) AGERMTNR1ACHRM2CHRM3ALDH1A1
SCHEMBL16756697 0.72 CHRM2 (0.51) AGERMTNR1ACHRM2CHRM3ALDH1A1

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
WO-2017067848-A1 6-[5-AMINO-6-(2-ETHOXYETHOXY)-IMIDAZO[4,5-B]PYRIDIN-3-YL]-NICOTINONITRILE DERIVATIVES AND THEIR USE AS IRAK INHIBITORS GALAPAGOS NV (BE) 2017-04-27 WO disclosed
WO-2016193812-A1 SUBSTITUTED PYRIDINES AND METHOD OF USE ABBVIE S.A.R.L. (LU) 2016-12-08 WO disclosed