SCHEMBL14735285

SCHEMBL14735285

CC(CN(C)CC(C)N(C)C)N(C)C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.44
SLC6A4 P31645 2/20 0.34
CHRNB2 P17787 7/20 0.32
CHRNA4 P43681 7/20 0.32
CHRNB4 P30926 6/20 0.32
CHRNA3 P32297 4/20 0.31
PIK3CD O00329 1/20 0.31
CYP2D6 P10635 2/20 0.30
CYP1A2 P05177 1/20 0.30
ALOX15 P16050 1/20 0.30
HSD17B10 Q99714 1/20 0.30
SLC22A1 O15245 1/20 0.30
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30
ESR1 P03372 1/20 0.30
PRNP P04156 1/20 0.30
CHRM2 P08172 1/20 0.30
CHRM4 P08173 1/20 0.30
HTR1A P08908 1/20 0.30
CHRM5 P08912 1/20 0.30

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
SCHEMBL25663957 0.91 PIK3CD (0.42) SIGMAR1SLC6A4PIK3CD
SCHEMBL25663958 0.91 PIK3CD (0.42) SIGMAR1SLC6A4PIK3CD
SCHEMBL1409068 0.86 SIGMAR1 (0.38) SIGMAR1CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL1396453 0.84 SIGMAR1 (0.36) SIGMAR1
SCHEMBL232018 0.79
SCHEMBL25575374 0.79
SCHEMBL2127932 0.79 CHRNB2 (0.32) SIGMAR1SLC6A4CHRNB2CHRNA4CHRNB4
SCHEMBL1408981 0.78 SIGMAR1 (0.41) SIGMAR1CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL27829147 0.76 CA12 (0.39) SIGMAR1
SCHEMBL7215653 0.74 SIGMAR1 (0.32) SIGMAR1

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-2751159-B1 DISPERSION FORMED FROM A LIQUID PHASE AND A SOLID PHASE BASF SE (DE) 2015-10-14 EP disclosed
EP-2751159-A1 DISPERSION FORMED FROM A LIQUID PHASE AND A SOLID PHASE BASF SE (DE) 2014-07-09 EP disclosed
US-20130085197-A1 DISPERSION COMPRISING A LIQUID PHASE AND A SOLID PHASE BASF SE (DE) 2013-04-04 US disclosed
WO-2013030173-A1 DISPERSION FORMED FROM A LIQUID PHASE AND A SOLID PHASE BASF SE (DE) 2013-03-07 WO disclosed
EP-2565214-A1 Dispersion consisting of a liquid and a solid phase BASF SE (DE) 2013-03-06 EP disclosed