SCHEMBL6601049

SCHEMBL6601049

CCC1=C(N)C(C)CCC1

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 5/20 0.36
NOS1 P29475 5/20 0.36
NOS2 P35228 5/20 0.36
HRH3 Q9Y5N1 6/20 0.36
HRH2 P25021 5/20 0.36
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA4 P22748 1/20 0.32
KMT2A Q03164 1/20 0.31

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
SCHEMBL2688434 0.76 CA1 (0.38) HRH3HRH2CA1CA2CA4
SCHEMBL4629485 0.72
SCHEMBL258148 0.72
SCHEMBL17469537 0.68
SCHEMBL258289 0.65
SCHEMBL27559384 0.65 CA1 (0.37) HRH3HRH2CA1CA2CA4
SCHEMBL7608454 0.65 CA1 (0.37) NOS3NOS1NOS2HRH3HRH2
SCHEMBL1485903 0.64
SCHEMBL1485871 0.64
SCHEMBL258236 0.64 KMT2A (0.48) NOS3NOS1NOS2HRH3HRH2

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
EP-1467985-A1 DIAMIDE INVERTEBRATE PEST CONTROL AGENTS E.I. DU PONT DE NEMOURS AND COMPANY (US) 2004-10-20 EP disclosed
WO-2003062221-A1 DIAMIDE INVERTEBRATE PEST CONTROL AGENTS E.I. DU PONT DE NEMOURS AND COMPANY (US) 2003-07-31 WO disclosed