SCHEMBL4909307

SCHEMBL4909307

Cc1ccccc1CNCCNCCNCCN

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 13/20 0.73
TAAR1 Q96RJ0 1/20 0.52
SCN8A Q9UQD0 1/20 0.48
CA12 O43570 1/20 0.46
CA2 P00918 1/20 0.46
HTT P42858 1/20 0.45
GRIN1 Q05586 4/20 0.45
GRIN2A Q12879 4/20 0.45
BCHE P06276 4/20 0.45
ACHE P22303 4/20 0.45
TP53 P04637 1/20 0.45
CHRM4 P08173 1/20 0.45
CYP3A4 P08684 1/20 0.45
CHRM5 P08912 1/20 0.45
CYP2D6 P10635 1/20 0.45
CHRM1 P11229 1/20 0.45
TSHR P16473 1/20 0.45
CHRM3 P20309 1/20 0.45
THPO P40225 1/20 0.45
RECQL P46063 1/20 0.45

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
SCHEMBL4919388 1.00 CHRM2 (0.73) CHRM2TAAR1SCN8ACA12CA2
SCHEMBL4908322 1.00 CHRM2 (0.73) CHRM2TAAR1SCN8ACA12CA2
SCHEMBL4917141 0.96 CHRM2 (0.72) CHRM2TAAR1SCN8ACA12CA2
SCHEMBL4912089 0.90 CHRM2 (0.81) CHRM2CA12CA2HTTGRIN1
SCHEMBL4916612 0.90 CHRM2 (0.81) CHRM2CA12CA2HTTGRIN1
SCHEMBL5034679 0.90 CHRM2 (0.81) CHRM2CA12CA2HTTGRIN1
SCHEMBL14399064 0.89 CHRM2 (0.73) CHRM2TAAR1SCN8ACA12CA2
SCHEMBL4913105 0.88 CHRM2 (0.77) CHRM2TAAR1SCN8ACA12CA2
SCHEMBL18575559 0.82 CA12 (0.54) CHRM2CA12CA2GRIN1GRIN2A
SCHEMBL11228760 0.81 CHRM2 (0.53) CHRM2TAAR1SCN8ACA12CA2

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 5 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
CN-101168601-A Crosslinkers for improving stability of polyurethane foams AIR PROD & CHEM (US) 2008-04-30 CN 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