SCHEMBL5011983

SCHEMBL5011983

C1CCC2=NCCCCC2CC1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 7/20 0.41
NOS1 P29475 7/20 0.41
NOS2 P35228 7/20 0.41
NISCH Q9Y2I1 1/20 0.39
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
HSD17B10 Q99714 1/20 0.37
POLB P06746 1/20 0.32
ADRA2A P08913 1/20 0.31
ADRA2B P18089 1/20 0.31
ADRA2C P18825 1/20 0.31
ADRA1A P35348 1/20 0.31
USP2 O75604 1/20 0.31
INMT O95050 1/20 0.31
CHRNB4 P30926 1/20 0.30
CHRNA3 P32297 1/20 0.30
CRBN Q96SW2 1/20 0.30

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
SCHEMBL14993410 1.00 NOS3 (0.41) NOS3NOS1NOS2NISCHMEN1
SCHEMBL15743712 1.00 NOS3 (0.41) NOS3NOS1NOS2NISCHMEN1
SCHEMBL4649152 1.00 NOS3 (0.41) NOS3NOS1NOS2NISCHMEN1
SCHEMBL4611302 1.00 NOS3 (0.41) NOS3NOS1NOS2NISCHMEN1
SCHEMBL22477358 1.00 NOS3 (0.41) NOS3NOS1NOS2NISCHMEN1
SCHEMBL6498120 0.98 NOS1 (0.39) NOS3NOS1NOS2NISCHMEN1
SCHEMBL29957 0.95 NISCH (0.39) NOS3NOS1NOS2NISCHMEN1
SCHEMBL15526124 0.95 NISCH (0.39) NOS3NOS1NOS2NISCHMEN1
SCHEMBL14993023 0.95 NISCH (0.39) NOS3NOS1NOS2NISCHMEN1
SCHEMBL4649825 0.95 NISCH (0.39) NOS3NOS1NOS2NISCHMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2785726-A2 ESTER-FUNCTIONAL SILANES AND THE PREPARATION AND USE THEREOF; AND USE OF IMINIUM COMPOUNDS AS PHASE TRANSFER CATALYSTS Dow Corning Corporation (US) 2014-10-08 EP disclosed
WO-2013081820-A2 ESTER-FUNCTIONAL SILANES AND THE PREPARATION AND USE THEREOF;AND USE OF IMINIUM COMPOUNDS AS PHASE TRANSFER CATALYSTS DOW CORNING CORPORATION (US) 2013-06-06 WO disclosed
EP-1965902-A1 CONTINIUOUS FLOW REACTOR Fluens Synthesis AS (NO) 2008-09-10 EP disclosed
WO-2007058544-A1 CONTINIUOUS FLOW REACTOR FLUENS SYNTHESIS AS (NO) 2007-05-24 WO disclosed
EP-1051425-A2 2-(PURIN-9-yl)-TETRAHYDROFURAN-3,4-DIOL DERIVATIVES GLAXO GROUP LIMITED (GB) 2000-11-15 EP disclosed
WO-1999038877-A2 2-(PURIN-9-yl)-TETRAHYDROFURAN-3,4-DIOL DERIVATIVES GLAXO GROUP LIMITED (GB) 1999-08-05 WO disclosed