SCHEMBL3064071

SCHEMBL3064071

NC=C(NC1CC2CCC1C2)C(N)=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 4/20 0.49
SIGMAR1 Q99720 4/20 0.47
GRIN2D O15399 2/20 0.47
GRIN3B O60391 2/20 0.47
GRIN1 Q05586 2/20 0.47
GRIN2A Q12879 2/20 0.47
GRIN2B Q13224 2/20 0.47
GRIN2C Q14957 2/20 0.47
GRIN3A Q8TCU5 2/20 0.47
EPHX1 P07099 1/20 0.47
HPGD P15428 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
ALDH1A1 P00352 2/20 0.42
TAS1R3 Q7RTX0 1/20 0.42
TAS1R1 Q7RTX1 1/20 0.42
TAS1R2 Q8TE23 1/20 0.42
MAPK1 P28482 1/20 0.42
MAPT P10636 1/20 0.41
DPP4 P27487 1/20 0.40
HSD17B10 Q99714 1/20 0.39

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
SCHEMBL3069168 0.83 MAPT (0.47) EPHX2SIGMAR1GRIN2DGRIN3BGRIN1
SCHEMBL3065179 0.79 EPHX2 (0.54) EPHX2SIGMAR1GRIN2DGRIN3BGRIN1
SCHEMBL7610644 0.78 EPHX2 (0.58) EPHX2SIGMAR1GRIN2DGRIN3BGRIN1
Hydrochloric Acid SCHEMBL7609168 0.77 SIGMAR1 (0.57) EPHX2SIGMAR1GRIN2DGRIN3BGRIN1
SCHEMBL3073781 0.76 EPHX2 (0.51) EPHX2SIGMAR1GRIN2DGRIN3BGRIN1
SCHEMBL3064067 0.75 EPHX2 (0.50) EPHX2SIGMAR1GRIN2DGRIN3BGRIN1
SCHEMBL3071717 0.74 EPHX2 (0.61) EPHX2SIGMAR1GRIN2DGRIN3BGRIN1
SCHEMBL3068813 0.74 EPHX1 (0.76) EPHX2SIGMAR1GRIN2DGRIN3BGRIN1
SCHEMBL3065279 0.74 EPHX2 (0.53) EPHX2SIGMAR1GRIN2DGRIN3BGRIN1
SCHEMBL3064363 0.72 EPHX2 (0.60) EPHX2SIGMAR1GRIN2DGRIN3BGRIN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7789958-B2 Non-toxic corrosion-protection pigments based on manganese UNIVERSITY OF DAYTON (US) 2010-09-07 US disclosed
US-7422793-B2 Non-toxic corrosion-protection rinses and seals based on rare earth elements UNIVERSITY OF DAYTON (US) 2008-09-09 US disclosed
US-7407711-B2 Non-toxic corrosion-protection conversion coats based on rare earth elements UNIVERSITY OF DAYTON (US) 2008-08-05 US disclosed
US-7294211-B2 Non-toxic corrosion-protection conversion coats based on cobalt UNIVERSITY OF DAYTON (US) 2007-11-13 US disclosed
US-20070149673-A1 NON-TOXIC CORROSION-PROTECTION PIGMENTS BASED ON MANGANESE STURGILL JEFFREY A 2007-06-28 US disclosed
US-7235142-B2 Non-toxic corrosion-protection rinses and seals based on cobalt UNIVERSITY OF DAYTON (US) 2007-06-26 US disclosed
US-20040020568-A1 Non-toxic corrosion-protection conversion coats based on rare earth elements DAYTON, UNIVERSITY OF 2004-02-05 US disclosed
US-20040016910-A1 Non-toxic corrosion-protection rinses and seals based on rare earth elements DAYTON, UNIVERSITY OF 2004-01-29 US disclosed
US-20040011252-A1 Non-toxic corrosion-protection pigments based on manganese UNIVERSITY OF DAYTON 2004-01-22 US disclosed
US-20030234063-A1 Non-toxic corrosion-protection conversion coats based on cobalt DAYTON, UNIVERSITY OF 2003-12-25 US disclosed
US-20030230363-A1 Non-toxic corrosion-protection rinses and seals based on cobalt UNIVERSITY OF DAYTON 2003-12-18 US disclosed
WO-2003060191-A2 NON-TOXIC CORROSION-PROTECTION CONVERSION COATINGES ABSED ON COBALT UNIVERSITY OF DAYTON (US) 2003-07-24 WO disclosed