SCHEMBL7715426

SCHEMBL7715426

COc1ccnc(CCC(=O)CCc2cc(OC)ccn2)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 9/20 0.54
NOS1 P29475 8/20 0.54
NOS3 P29474 5/20 0.54
CCR1 P32246 1/20 0.47
CCR5 P51681 1/20 0.47
CCR8 P51685 1/20 0.47
CYP2C9 P11712 1/20 0.46
LMNA P02545 1/20 0.44
F2RL1 P55085 1/20 0.44
KDM4E B2RXH2 2/20 0.43
MTNR1A P48039 3/20 0.43
MTNR1B P49286 3/20 0.43
MAPK1 P28482 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
CYP1A2 P05177 1/20 0.42
PLAU P00749 1/20 0.41
HTR1A P08908 1/20 0.41
ADRA1D P25100 1/20 0.41
ADRA1A P35348 1/20 0.41
ADRA1B P35368 1/20 0.41

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
SCHEMBL2830882 0.89 NOS1 (0.53) NOS2NOS1NOS3CCR1CCR5
SCHEMBL2835238 0.87 NOS1 (0.51) NOS2NOS1NOS3CCR1CCR5
SCHEMBL10743352 0.83 NOS1 (0.48) NOS2NOS1NOS3CCR1CCR5
SCHEMBL4104275 0.81 NOS2 (0.59) NOS2NOS1NOS3CCR1CCR5
SCHEMBL6844608 0.79 NOS2 (0.61) NOS2NOS1NOS3CCR1CCR5
SCHEMBL26804290 0.78 NOS1 (0.36) NOS2NOS1NOS3CYP2C9LMNA
SCHEMBL15743142 0.78 NOS3 (0.56) NOS2NOS1NOS3CCR1CCR5
SCHEMBL7230462 0.78 NOS1 (0.56) NOS2NOS1NOS3CCR1CCR5
SCHEMBL27974102 0.77 UHRF1 (0.42) NOS2NOS1NOS3CCR1CCR5
SCHEMBL29694712 0.77 NOS2 (0.62) NOS2NOS1NOS3CCR1CCR5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0956741-A4 LIGHT EMITTING ARTICLES WITH LIGHT REFLECTING STRUCTURES UNIV PRINCETON (US) 2002-08-07 EP disclosed
EP-0956741-A1 LIGHT EMITTING ARTICLES WITH LIGHT REFLECTING STRUCTURES THE TRUSTEES OF PRINCETON UNIVERSITY (US) 1999-11-17 EP disclosed
EP-0904596-A1 PLASMA TREATMENT OF CONDUCTIVE LAYERS THE TRUSTEES OF PRINCETON UNIVERSITY (US) 1999-03-31 EP disclosed
WO-1998028947-A1 LIGHT EMITTING ARTICLES WITH LIGHT REFLECTING STRUCTURES THE TRUSTEES OF PRINCETON UNIVERSITY (US) 1998-07-02 WO disclosed
WO-1997048115-A1 PLASMA TREATMENT OF CONDUCTIVE LAYERS THE TRUSTEES OF PRINCETON UNIVERSITY (US) 1997-12-18 WO disclosed