SCHEMBL809647

SCHEMBL809647

c1ccc(C2(c3ccccc3)CCN3CCCN=C32)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 6/20 0.48
BACE2 Q9Y5Z0 5/20 0.48
APP P05067 1/20 0.48
CTSD P07339 2/20 0.38
SLC6A2 P23975 4/20 0.35
SLC6A4 P31645 4/20 0.35
SLC6A3 Q01959 4/20 0.35
GRIN2D O15399 1/20 0.35
GRIN3B O60391 1/20 0.35
CYP2B6 P20813 1/20 0.35
PRCP P42785 1/20 0.35
GRIN1 Q05586 1/20 0.35
KCNH2 Q12809 1/20 0.35
GRIN2A Q12879 1/20 0.35
GRIN2B Q13224 1/20 0.35
GRIN2C Q14957 1/20 0.35
GRIN3A Q8TCU5 1/20 0.35
SIGMAR1 Q99720 1/20 0.35
OPRM1 P35372 1/20 0.34
OPRD1 P41143 1/20 0.34

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
SCHEMBL809856 0.67 INMT (0.41) BACE1BACE2APP
SCHEMBL810119 0.66 INMT (0.41) BACE1BACE2APPSLC6A2SLC6A4
SCHEMBL3456304 0.65 BACE1 (1.00) BACE1BACE2APPCTSD
SCHEMBL10676914 0.63 BACE1 (0.50) BACE1BACE2APPCTSDSLC6A2
SCHEMBL14277042 0.63 BACE1 (0.69) BACE1BACE2APPCTSDPOLB
SCHEMBL10677442 0.62 BACE1 (0.52) BACE1BACE2APPCTSDSLC6A2
SCHEMBL14277041 0.62 BACE1 (0.49) BACE1BACE2APPCTSDPOLB
SCHEMBL991696 0.59 SIGMAR1 (0.46) BACE1BACE2APPSIGMAR1POLB
SCHEMBL9458539 0.57 OPRM1 (0.35) SLC6A2SLC6A4SLC6A3GRIN2DGRIN3B
SCHEMBL30929784 0.57 GRIN1 (0.57) BACE1BACE2APPGRIN2DGRIN3B

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-2098567-B1 ACRYLIC RUBBER COMPOSITION AND VULCANIZATE THEREOF DENKI KAGAKU KOGYO KK (JP) 2011-11-16 EP disclosed
US-8012556-B2 Acrylic rubber composition and its vulcanized product DENKI KAGAKU KOGYO KABUSHIKI KAISHA (JP) 2011-09-06 US disclosed
US-20100009105-A1 ACRYLIC RUBBER COMPOSITION AND VULCANIZED PRODUCT DENKI KAGAKU KIGYO KABUSHIKI KAISHA (JP) 2010-01-14 US disclosed
EP-2098567-A1 ACRYLIC RUBBER COMPOSITION AND VULCANIZATE THEREOF Denki Kagaku Kogyo Kabushiki Kaisha (JP) 2009-09-09 EP disclosed