SCHEMBL1950993

SCHEMBL1950993

c1cc(CC2CC3CCN2CC3)ccc1CC1CC2CCN1CC2

nearest known ligand 0.67

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.67
ALPG P10696 1/20 0.67
GFER P55789 1/20 0.67
CHRNB2 P17787 4/20 0.62
CHRNA4 P43681 4/20 0.62
CHRNA7 P36544 2/20 0.62
GRIN2B Q13224 3/20 0.36
SLC18A3 Q16572 1/20 0.34
NOS3 P29474 1/20 0.33
NOS1 P29475 1/20 0.33
NOS2 P35228 1/20 0.33
CTSK P43235 1/20 0.33
CCR3 P51677 1/20 0.32

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
SCHEMBL7045470 0.91 GAA (0.58) GAAALPGGFERCHRNB2CHRNA4
SCHEMBL27887177 0.91 GAA (0.58) GAAALPGGFERCHRNB2CHRNA4
SCHEMBL7041910 0.91 GFER (0.58) GAAALPGGFERCHRNB2CHRNA4
SCHEMBL8740662 0.90 CHRNB2 (0.66) GAAALPGGFERCHRNB2CHRNA4
SCHEMBL27901892 0.87 CHRNB2 (0.67) GAAALPGGFERCHRNB2CHRNA4
Hydrochloric Acid SCHEMBL8864197 0.86 GAA (0.57) GAAALPGGFERCHRNB2CHRNA4
SCHEMBL1950614 0.84 CHRNB2 (0.64) GAAALPGGFERCHRNB2CHRNA4
SCHEMBL7041925 0.81 CHRNA7 (0.60) GAAALPGGFERCHRNB2CHRNA4
SCHEMBL7041824 0.80 CHRNB2 (0.51) GAAALPGGFERCHRNB2CHRNA4
SCHEMBL704736 0.80 CHRNB2 (0.58) GAAALPGGFERCHRNB2CHRNA4

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2518017-B1 NOVEL METALLOSILICATE AND PRODUCTION METHOD THEREOF TOSOH CORP (JP) 2019-07-24 EP disclosed
US-9675935-B2 Metallosilicates, processes for producing the same, nitrogen oxide removal catalyst, process for producing the same, and method for removing nitrogen oxide with the same TOSOH CORPORATION (JP) 2017-06-13 US disclosed
US-8722560-B2 Highly heat-resistant β-type zeolite and SCR catalyst employing the same TOSOH CORPORATION (JP) 2014-05-13 US disclosed
EP-2518017-A1 NOVEL METALLOSILICATE, PRODUCTION METHOD THEREOF, NITROGEN OXIDE PURIFICATION CATALYST, PRODUCTION METHOD THEREOF, AND NITROGEN OXIDE PURIFICATION METHOD MAKING USE THEREOF Tosoh Corporation (JP) 2012-10-31 EP disclosed
US-20120207669-A1 NOVEL METALLOSILICATES, PROCESSES FOR PRODUCING THE SAME, NITROGEN OXIDE REMOVAL CATALYST, PROCESS FOR PRODUCING THE SAME, AND METHOD FOR REMOVING NITROGEN OXIDE WITH THE SAME TOSOH CORPORATION (JP) 2012-08-16 US disclosed
US-20110136657-A1 HIGHLY HEAT-RESISTANT BETA-TYPE ZEOLITE AND SCR CATALYST EMPLOYING THE SAME TOSOH CORPORATION (JP) 2011-06-09 US disclosed