SCHEMBL5280016

SCHEMBL5280016

CCCCCCN1N=CN(CCC)C1C

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
EBP Q15125 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
TBXAS1 P24557 1/20 0.33
PTGS1 P23219 3/20 0.32
PTGS2 P35354 3/20 0.32
MGLL Q99685 2/20 0.32
FAAH O00519 1/20 0.32
GUSB P08236 2/20 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
SCHEMBL5277325 0.93 EBP (0.33) EBPSIGMAR1TBXAS1PTGS1PTGS2
SCHEMBL5280633 0.93
SCHEMBL5278174 0.89 EBP (0.33) EBPSIGMAR1TBXAS1PTGS1PTGS2
SCHEMBL5276656 0.87 PDE2A (0.30)
SCHEMBL5280522 0.87 ESR1 (0.33)
SCHEMBL5275512 0.85
SCHEMBL5277902 0.83 EBP (0.30) EBPSIGMAR1TBXAS1
SCHEMBL5278916 0.83 EBP (0.30) EBPSIGMAR1TBXAS1
SCHEMBL5280041 0.81 EBP (0.35) EBPSIGMAR1TBXAS1PTGS1PTGS2
SCHEMBL5277035 0.81

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1859781-A2 Brightening and/or colouring agent with triazoles Henkel Kommanditgesellschaft auf Aktien (DE) 2007-11-28 EP disclosed