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Sugi Predict / Compounds / SCHEMBL4015488

SCHEMBL4015488

SCHEMBL4015488

CC(C)(C)c1cc(NC(=O)C(C)(C)S(=O)(=O)CC2CCCO2)no1.Cn1nc(C(C)(C)C)cc1NC(=O)C(C)(C)S(=O)(=O)CC1CCC1

nearest known ligand 0.44

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ CNR2 P34972 19/20 0.42
▸ CNR1 P21554 9/20 0.42

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
SCHEMBL4016742 0.96 NPC1 (0.42) NPC1SMN1; SMN2CNR2CNR1
SCHEMBL4012815 0.90 NPC1 (0.42) NPC1SMN1; SMN2CNR2CNR1
SCHEMBL1620231 0.88 CNR2 (0.50) CNR2CNR1
SCHEMBL4015643 0.86 NPC1 (0.50) NPC1SMN1; SMN2CNR2CNR1
SCHEMBL1621563 0.85 CNR2 (0.49) CNR2CNR1
SCHEMBL1620915 0.85 NPC1 (0.58) NPC1SMN1; SMN2CNR2CNR1
SCHEMBL1620468 0.84 CNR2 (0.55) CNR2CNR1
SCHEMBL1621073 0.83 NPC1 (0.55) NPC1SMN1; SMN2CNR2CNR1
SCHEMBL1619580 0.83 CNR2 (0.53) NPC1SMN1; SMN2CNR2CNR1
SCHEMBL4008904 0.82 GCK (0.41) NPC1CNR2CNR1

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