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SCHEMBL4010277

SCHEMBL4010277

CC(C)(C(=O)Nc1ccc(C(F)(F)F)cn1)S(=O)(=O)CC1CCCCC1.CC(C)(C(=O)Nc1ccc(C(F)(F)F)cn1)S(=O)(=O)CC1CCNCC1.CC(C)(C)c1cc(NC(=O)C(C)(C)S(=O)(=O)C2(C)CCOCC2)no1.CC(C)(C)c1cc(NC(=O)C(C)(C)S(=O)(=O)C2CCCCCC2)no1.CC(C)(C)c1cc(NC(=O)C(C)(C)S(=O)(=O)CC2CCNCC2)no1.CC(C)CCS(=O)(=O)C(C)(C)C(=O)Nc1ccc(C(F)(F)F)cn1.Cn1nc(C(C)(C)C)cc1NC(=O)C(C)(C)S(=O)(=O)CC1CCCO1

nearest known ligand 0.34

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 9/20 0.34
▸ CNR1 P21554 6/20 0.34
▸ GCK P35557 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
SCHEMBL4009700 0.82 CNR2 (0.39) CNR2CNR1GCK
SCHEMBL4008904 0.80 GCK (0.41) CNR2CNR1GCK
SCHEMBL4160813 0.77 CNR2 (0.49) CNR2CNR1
SCHEMBL4176963 0.77 CNR2 (0.49) CNR2CNR1
SCHEMBL4011949 0.75 CNR2 (0.55) CNR2CNR1GCK
SCHEMBL4016742 0.75 NPC1 (0.42) CNR2CNR1
SCHEMBL4015488 0.74 NPC1 (0.44) CNR2CNR1
SCHEMBL4013229 0.73 CNR2 (0.56) CNR2CNR1
SCHEMBL4012815 0.70 NPC1 (0.42) CNR2CNR1
SCHEMBL4153149 0.69 CNR2 (0.59) 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 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