SCHEMBL22591237

SCHEMBL22591237

C#CCCCCCc1cc(C(=O)NC2CC(NC(=O)c3cc(OCCCCC#C)c(CCCN)c(OCCCCC#C)c3)C[C@@H](NC(=O)c3cc(OCCCCC#C)c(CCCN)c(OCCCCC#C)c3)C2)cc(OCCCCC#C)c1CCCN

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 7/20 0.32
CNR1 P21554 5/20 0.32
CYSLTR2 Q9NS75 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
SCHEMBL20097655 0.93 CYSLTR2 (0.34) CNR2CYSLTR2
SCHEMBL16447138 0.93 CYSLTR2 (0.34) CNR2CYSLTR2
SCHEMBL18018673 0.92 CYSLTR2 (0.34) CNR2CYSLTR2
SCHEMBL21448017 0.79
SCHEMBL16446802 0.77 TTR (0.40)
SCHEMBL20098894 0.76 CA12 (0.37) CNR2
SCHEMBL16450733 0.76 CA12 (0.37) CNR2
SCHEMBL22536864 0.76 TTR (0.41)
SCHEMBL16450538 0.76 MAOB (0.42)
SCHEMBL17996918 0.76 TTR (0.39)

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-3274473-B1 METHODS AND COMPOSITIONS FOR SINGLE MOLECULE COMPOSITION LOADING PACIFIC BIOSCIENCES CALIFORNIA INC (US) 2020-10-28 EP disclosed