SCHEMBL13618563

SCHEMBL13618563

CC(I)(I)c1nnc(-c2cc(C(C)(C)CO)no2)o1

nearest known ligand 0.33

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 6/20 0.33
CNR1 P21554 4/20 0.33

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
SCHEMBL10146118 0.89 CNR2 (0.34) CNR2CNR1
SCHEMBL13618545 0.84 ALDH1A1 (0.32)
SCHEMBL351632 0.76 CNR2 (0.36) CNR2CNR1
SCHEMBL10147490 0.75
SCHEMBL10146116 0.73 CYP1A2 (0.37) CNR2
SCHEMBL10147473 0.73 CNR2 (0.31) CNR2CNR1
SCHEMBL10146130 0.67 MEN1 (0.33) CNR2CNR1
SCHEMBL9947014 0.66 CNR2 (0.39) CNR2CNR1
SCHEMBL10146302 0.65 PTGS2 (0.35) CNR2CNR1
SCHEMBL9891487 0.65 EGFR (0.42) CNR2CNR1

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
WO-2009140089-A2 SULFONE COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-11-19 WO disclosed