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SCHEMBL4017230

SCHEMBL4017230

CC(C)(C)c1cc(NC(=O)C(C)(C)S(=O)(=O)C2CCCCC2)no1.Cc1nc(NC(=O)C(C)(C)S(=O)(=O)C(C)C)sc1C(C)(C)C.O=C(O)C1(S(=O)(=O)C2CCCCC2)CCC1

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 17/20 0.35
▸ CNR1 P21554 9/20 0.35
▸ NPC1 O15118 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ LMNA P02545 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ GAA P10253 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
SCHEMBL4018062 0.94 CNR2 (0.33) CNR2CNR1GAA
SCHEMBL4012322 0.88 LMNA (0.33) NPC1SMN1; SMN2LMNAGAA
SCHEMBL4013326 0.77 CNR2 (0.44) CNR2CNR1NPC1SMN1; SMN2GAA
SCHEMBL1619477 0.74 CNR2 (0.55) CNR2CNR1NPC1SMN1; SMN2LMNA
SCHEMBL1620926 0.74 CNR2 (0.55) CNR2CNR1NPC1SMN1; SMN2LMNA
SCHEMBL1620543 0.73 CNR2 (0.56) CNR2CNR1NPC1SMN1; SMN2LMNA
SCHEMBL1621013 0.72 HPGD (0.51) CNR2CNR1NPC1SMN1; SMN2LMNA
SCHEMBL4017977 0.71 CNR2 (0.46) CNR2CNR1
SCHEMBL1620953 0.71 KMT2A (0.46) CNR2CNR1NPC1SMN1; SMN2LMNA
SCHEMBL1620892 0.70 CNR2 (0.58) CNR2CNR1NPC1SMN1; 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 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