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SCHEMBL4176963

SCHEMBL4176963

CC(C)(C)c1cc(NC(=O)C(C)(C)S(=O)(=O)C2CCCCCC2)no1.CC(C)CCS(=O)(=O)C(C)(C)C(=O)Nc1cc(C(C)(C)C)nn1C.CC(C)CCS(=O)(=O)C(C)(C)C(=O)Nc1cc(C(C)(C)C)on1

nearest known ligand 0.49

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 19/20 0.49
▸ CNR1 P21554 11/20 0.42
▸ NPC1 O15118 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL4160813 1.00 CNR2 (0.49) CNR2CNR1NPC1SMN1; SMN2
SCHEMBL4153149 0.90 CNR2 (0.59) CNR2CNR1
SCHEMBL4156579 0.86 CNR2 (0.54) CNR2CNR1
SCHEMBL4172767 0.83 CNR2 (0.46) CNR2CNR1NPC1SMN1; SMN2
SCHEMBL4172770 0.83 CNR2 (0.46) CNR2CNR1NPC1SMN1; SMN2
SCHEMBL1621077 0.80 CNR2 (0.57) CNR2
SCHEMBL1622013 0.80 CNR2 (0.63) CNR2
SCHEMBL1620926 0.79 CNR2 (0.55) CNR2CNR1NPC1SMN1; SMN2
SCHEMBL1619502 0.79 CNR2 (0.58) CNR2
SCHEMBL1621618 0.79 CNR2 (0.67) 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 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 disclosed
WO-2008039645-A1 COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-04-03 — — WO disclosed