SCHEMBL10147797

SCHEMBL10147797

CC(C)(C)c1cc(-c2nnc(C(C)(C)SCC3CCOCC3)o2)on1

nearest known ligand 0.35

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 11/20 0.35
CNR1 P21554 5/20 0.32
IKBKE Q14164 1/20 0.30
TBK1 Q9UHD2 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
SCHEMBL10147513 0.81 CNR2 (0.35) CNR2CNR1
SCHEMBL351342 0.79 CNR2 (0.46) CNR2CNR1
SCHEMBL10147534 0.77 CNR2 (0.34) CNR2CNR1
SCHEMBL10147581 0.75 CNR2 (0.34) CNR2CNR1
SCHEMBL352505 0.75 CNR2 (0.43) CNR2CNR1IKBKETBK1
SCHEMBL10146116 0.74 CYP1A2 (0.37) CNR2
SCHEMBL1250804 0.72 CNR2 (0.42) CNR2CNR1
SCHEMBL13618545 0.70 ALDH1A1 (0.32)
SCHEMBL10147579 0.68 NPC1 (0.33)
SCHEMBL10147586 0.67 CNR2 (0.35) CNR2

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-2418207-A1 Sulfone compounds which modulate the CB2 receptor Boehringer Ingelheim International GmbH (DE) 2012-02-15 EP disclosed