SCHEMBL810119

SCHEMBL810119

c1ccc(C2(c3ccccc3)CC3=NCCCN3C2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
INMT O95050 2/20 0.41
USP2 O75604 1/20 0.41
APP P05067 1/20 0.40
BACE1 P56817 1/20 0.40
BACE2 Q9Y5Z0 1/20 0.40
OPRM1 P35372 3/20 0.38
DRD4 P21917 1/20 0.38
HSD11B1 P28845 4/20 0.35
HSD11B2 P80365 3/20 0.35
GRIN2D O15399 2/20 0.34
GRIN3B O60391 2/20 0.34
GRIN1 Q05586 2/20 0.34
KCNH2 Q12809 2/20 0.34
GRIN2A Q12879 2/20 0.34
GRIN2B Q13224 2/20 0.34
GRIN2C Q14957 2/20 0.34
GRIN3A Q8TCU5 2/20 0.34
CYP2B6 P20813 1/20 0.34
SLC6A2 P23975 1/20 0.34
SLC6A4 P31645 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
SCHEMBL8968969 0.66 ACHE (0.49) USP2SIGMAR1HPGD
SCHEMBL809647 0.66 BACE1 (0.48) APPBACE1BACE2OPRM1HSD11B1
Phenol SCHEMBL2699703 0.65 INMT (0.68) INMTUSP2SIGMAR1NPSR1HPGD
SCHEMBL17309688 0.64 INMT (0.66) INMTUSP2SIGMAR1NPSR1HPGD
SCHEMBL17309677 0.62 INMT (0.55) INMTUSP2SIGMAR1HPGD
Phthalic Acid SCHEMBL38651925 0.62 INMT (0.62) INMTUSP2
Phthalic Acid SCHEMBL29689069 0.62 INMT (0.62) INMTUSP2
Phthalic Acid SCHEMBL31208345 0.62 INMT (0.62) INMTUSP2
SCHEMBL16662389 0.61 OPRM1 (0.46) OPRM1DRD4HSD11B1HSD11B2GRIN2D
SCHEMBL4209029 0.61 OPRM1 (0.58) USP2OPRM1DRD4GRIN2DGRIN3B

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