SCHEMBL7201607

SCHEMBL7201607

CCC(C)N(C)c1ccccc1N(C)C(C)CC

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.38
AOC3 Q16853 2/20 0.37
GRIN1 Q05586 4/20 0.37
GRIN2A Q12879 4/20 0.37
GRIN2D O15399 3/20 0.37
GRIN2C Q14957 3/20 0.37
GRIN2B Q13224 2/20 0.37
HTR2A P28223 2/20 0.36
ADRA2B P18089 1/20 0.36
ADRA2C P18825 1/20 0.36
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36
ADRA1A P35348 1/20 0.36
OPRK1 P41145 1/20 0.36
SLC6A3 Q01959 1/20 0.36
KCNH2 Q12809 1/20 0.36
NPY5R Q15761 1/20 0.36
TSHR P16473 2/20 0.35
ALDH1A1 P00352 2/20 0.34
TP53 P04637 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
SCHEMBL22994872 0.87 SLC6A2 (0.43) LMNAAOC3GRIN1GRIN2AGRIN2D
SCHEMBL19337210 0.86 MGLL (0.36) LMNAAOC3GRIN1GRIN2AGRIN2D
SCHEMBL6880285 0.86 TSHR (0.47) LMNAAOC3GRIN1GRIN2AGRIN2D
SCHEMBL19336907 0.86 MGLL (0.36) LMNAAOC3GRIN1GRIN2AGRIN2D
SCHEMBL18383113 0.86 AOC3 (0.40) LMNAAOC3GRIN1GRIN2AGRIN2D
SCHEMBL95074 0.79 TSHR (0.42) LMNAGRIN1GRIN2AGRIN2DGRIN2C
SCHEMBL39602 0.75 ALDH1A1 (0.36) GRIN1GRIN2AGRIN2DGRIN2CGRIN2B
SCHEMBL6887995 0.73 ALDH1A1 (0.35) GRIN1GRIN2AGRIN2DGRIN2CGRIN2B
Aniline SCHEMBL4439642 0.71 ALDH1A1 (0.45) AOC3GRIN1GRIN2AGRIN2DGRIN2C
SCHEMBL6880364 0.71 TSHR (0.41) LMNAAOC3GRIN1GRIN2AHTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8329625-B2 Aqueous functional fluids with antioxidants CIBA SPECIALTY CHEMICALS CORPORATION (US) 2012-12-11 US disclosed
EP-0728806-B2 Synergistic stabiliser mixture CIBA SC HOLDING AG (CH) 2003-05-14 EP disclosed