Sugi Predict

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SCHEMBL4013326

SCHEMBL4013326

CC(C)(C)c1cc(NC(=O)C(C)(C)S(=O)(=O)C2CCCCC2)no1.CC(C)S(=O)(=O)C(C)(C)C(=O)Nc1nc(C(C)(C)C)cs1

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 16/20 0.44
▸ CNR1 P21554 10/20 0.44
▸ ATAD2 Q6PL18 1/20 0.42
▸ GCK P35557 1/20 0.39
▸ GAA P10253 1/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL4011827 0.86 CNR2 (0.52) CNR2CNR1ATAD2GCKNPC1
SCHEMBL4018062 0.86 CNR2 (0.33) CNR2CNR1ATAD2GCKGAA
SCHEMBL1619477 0.82 CNR2 (0.55) CNR2CNR1NPC1SMN1; SMN2
SCHEMBL1620926 0.82 CNR2 (0.55) CNR2CNR1NPC1SMN1; SMN2
SCHEMBL1620973 0.82 ATAD2 (0.60) CNR2ATAD2GCKNPC1SMN1; SMN2
SCHEMBL1620543 0.81 CNR2 (0.56) CNR2CNR1NPC1SMN1; SMN2
SCHEMBL4011532 0.80 CNR2 (0.52) CNR2CNR1GAANPC1
SCHEMBL4011530 0.78 CNR2 (0.50) CNR2CNR1GAANPC1
SCHEMBL1621065 0.78 NPC1 (0.53) ATAD2NPC1SMN1; SMN2
SCHEMBL4017230 0.77 CNR2 (0.35) CNR2CNR1GAANPC1SMN1; SMN2

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-2074084-A1 COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR Boehringer Ingelheim International GmbH (DE) 2009-07-01 — — EP claimed
WO-2008039645-A1 COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-04-03 — — WO claimed