SCHEMBL4017182

SCHEMBL4017182

CC(C)(C)c1cc(C(N)=O)no1.O=C(O)C1(S(=O)(=O)C2CCCCC2)CCC1

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 14/20 0.36
CNR1 P21554 6/20 0.36
NPC1 O15118 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
ITGB1 P05556 2/20 0.33
ITGA4 P13612 2/20 0.33
BTK Q06187 1/20 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
SCHEMBL4017185 0.88 CNR2 (0.36) CNR2CNR1NPC1SMN1; SMN2LMNA
SCHEMBL1621013 0.79 HPGD (0.51) CNR2CNR1NPC1SMN1; SMN2LMNA
SCHEMBL3965097 0.77 CNR2 (0.45) CNR2CNR1SMN1; SMN2LMNAMAPT
SCHEMBL1621823 0.73 ITGB1 (0.43) SMN1; SMN2LMNAITGB1ITGA4
SCHEMBL1515627 0.73 ALDH1A1 (0.49) NPC1SMN1; SMN2LMNA
SCHEMBL3959595 0.72 CNR1 (0.47) CNR2CNR1SMN1; SMN2LMNAMAPT
Hydrochloric Acid SCHEMBL3712256 0.71 ALDH1A1 (0.48) NPC1SMN1; SMN2LMNA
SCHEMBL3964989 0.68 MMP2 (0.47) CNR2CNR1MAPT
SCHEMBL15204687 0.66 NPC1 (0.52) CNR2CNR1NPC1SMN1; SMN2LMNA
SCHEMBL3710378 0.66 CNR2 (0.52) CNR2CNR1MAPT

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