SCHEMBL4918396

SCHEMBL4918396

COc1ccccc1CNCCNCc1ccccc1OC

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 15/20 0.79
BCHE P06276 5/20 0.79
ACHE P22303 5/20 0.79
CHRM4 P08173 5/20 0.79
CHRM5 P08912 5/20 0.79
CHRM1 P11229 5/20 0.79
CHRM3 P20309 5/20 0.79
GRIN1 Q05586 4/20 0.79
GRIN2A Q12879 4/20 0.79
RECQL P46063 2/20 0.79
TP53 P04637 1/20 0.79
CYP3A4 P08684 1/20 0.79
CYP2D6 P10635 1/20 0.79
TSHR P16473 1/20 0.79
THPO P40225 1/20 0.79
MEN1 O00255 1/20 0.77
POLB P06746 1/20 0.77
MAPT P10636 1/20 0.77
BLM P54132 1/20 0.77
PMP22 Q01453 1/20 0.77

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
SCHEMBL5035489 0.98 CHRM2 (0.83) CHRM2BCHEACHECHRM4CHRM5
SCHEMBL4918181 0.98 CHRM2 (0.83) CHRM2BCHEACHECHRM4CHRM5
SCHEMBL4913173 0.98 CHRM2 (0.83) CHRM2BCHEACHECHRM4CHRM5
SCHEMBL5695121 0.91 ALDH1A1 (0.79) CHRM2BCHEACHECHRM4CHRM5
SCHEMBL8138468 0.90 CHRM2 (0.72) CHRM2BCHEACHECHRM4CHRM5
SCHEMBL4918894 0.89 CHRM2 (0.80) CHRM2BCHEACHECHRM4CHRM5
SCHEMBL4918374 0.89 CHRM2 (0.80) CHRM2BCHEACHECHRM4CHRM5
SCHEMBL4918881 0.89 CHRM2 (0.80) CHRM2BCHEACHECHRM4CHRM5
Hydrochloric Acid SCHEMBL4354687 0.89 CHRM2 (0.73) CHRM2BCHEACHECHRM4CHRM5
Methoctramine SCHEMBL11982296 0.89 CHRM2 (1.00) CHRM2BCHEACHECHRM4CHRM5

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-1914254-B1 Crosslinkers for improving stability of polyurethane foams EVONIK DEGUSSA GMBH (DE) 2017-08-23 EP disclosed
US-8552078-B2 Non-fugitive tertiary amine catalyst and alkylated polyamine crosslinking additives; aging resistance AIR PRODUCTS AND CHEMICALS, INC. (US) 2013-10-08 US disclosed
EP-1914254-A1 Crosslinkers for improving stability of polyurethane foams Air Products and Chemicals, Inc. (US) 2008-04-23 EP disclosed
US-20080090922-A1 Crosslinkers for improving stability of polyurethane foams EVONIK OPERATIONS GMBH (DE) 2008-04-17 US disclosed