SCHEMBL4013405

SCHEMBL4013405

Cn1nc(C(C)(C)C)cc1NC(=O)C(C)(C)S(=O)(=O)C1CCCCCC1.Cn1nc(C(C)(C)C)cc1NC(=O)C(C)(C)S(=O)(=O)CC1CCCCC1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 8/20 0.48
CNR1 P21554 3/20 0.41
MAPK14 Q16539 9/20 0.40
KDM1A O60341 1/20 0.38
MAPT P10636 2/20 0.38
LMNA P02545 1/20 0.38
MAPK11 Q15759 4/20 0.38
MAPK13 O15264 3/20 0.38
MAPK12 P53778 3/20 0.38
ERBB2 P04626 1/20 0.36
NTRK1 P04629 1/20 0.36

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
SCHEMBL1621075 0.94 CNR2 (0.54) CNR2CNR1MAPK14KDM1AMAPT
SCHEMBL1620468 0.91 CNR2 (0.55) CNR2CNR1MAPK14KDM1AMAPT
SCHEMBL1621077 0.91 CNR2 (0.57) CNR2MAPK14MAPTLMNAMAPK11
SCHEMBL4017781 0.91 CNR2 (0.52) CNR2CNR1
SCHEMBL1619502 0.90 CNR2 (0.58) CNR2MAPK14MAPTLMNAMAPK11
SCHEMBL766858 0.84 CNR2 (0.57) CNR2CNR1MAPK14KDM1AMAPT
SCHEMBL4017454 0.82 CNR2 (0.42) CNR2CNR1MAPK14KDM1ANTRK1
SCHEMBL4011546 0.82 CNR2 (0.49) CNR2CNR1
SCHEMBL4013638 0.80 CNR2 (0.61) CNR2CNR1
SCHEMBL766896 0.80 CNR2 (0.57) CNR2CNR1MAPK14MAPTLMNA

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 4 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
EP-2074084-A1 COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR Boehringer Ingelheim International GmbH (DE) 2009-07-01 EP disclosed
WO-2008039645-A1 COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-04-03 WO disclosed