SCHEMBL6504093

SCHEMBL6504093

CCC(CNC1CCN(c2ccc(N)c(C)c2)C1)NC1CCN(c2ccc(N)c(C)c2)C1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.44
RAD52 P43351 1/20 0.44
HRH4 Q9H3N8 9/20 0.36
LGMN Q99538 1/20 0.35
AKT1 P31749 1/20 0.34
OPRK1 P41145 2/20 0.33
TMEM97 Q5BJF2 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
MTNR1A P48039 1/20 0.33
MTNR1B P49286 1/20 0.33
USP28 Q96RU2 2/20 0.33
USP25 Q9UHP3 2/20 0.33
CASR P41180 2/20 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
SCHEMBL5964548 0.86 GFER (0.39) GAARAD52HRH4USP28USP25
SCHEMBL6504795 0.83 GAA (0.51) GAARAD52HRH4LGMNAKT1
SCHEMBL12324528 0.81 GAA (0.47) GAARAD52HRH4LGMNOPRK1
SCHEMBL2636674 0.76 GAA (0.44) GAARAD52LGMNTMEM97SIGMAR1
SCHEMBL6285772 0.74 AKT1 (0.48) GAARAD52AKT1
SCHEMBL2126969 0.72 GAA (0.44) GAARAD52HRH4LGMNAKT1
Hydrochloric Acid SCHEMBL4627803 0.71 GAA (0.43) GAARAD52HRH4LGMNMTNR1A
Hydrochloric Acid SCHEMBL4627790 0.71 GAA (0.43) GAARAD52HRH4LGMNMTNR1A
SCHEMBL6222105 0.70 GAA (0.51) GAARAD52HRH4LGMN
SCHEMBL5390127 0.70 GAA (0.53) GAARAD52HRH4LGMNAKT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6923835-B2 Bis-para-phenylenediamine derivatives comprising a pyrrolidyl group and use of these derivatives for dyeing keratin fibres L'OREAL S.A. (FR) 2005-08-02 US disclosed
US-6861162-B2 Doped thin films; multilayer; electrolytic cells; light emitting diodes CITYU RESEARCH LTD. (CN) 2005-03-01 US disclosed
US-20040043247-A1 Organic electroluminescence devices using pyrazolo [3,4B] quinoxaline derivatives INTELLECTUAL VENTURES HOLDING 57 LLC 2004-03-04 US disclosed