SCHEMBL27623926

SCHEMBL27623926

CC(C=O)C1(c2ccccc2)CCN(c2ncnc3c2nc(-c2ccccc2Cl)n3-c2ccc(Cl)cc2)CC1

nearest known ligand 0.70

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 20/20 0.70
CNR2 P34972 17/20 0.70
KCNH2 Q12809 1/20 0.64

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
SCHEMBL27623923 0.89 CNR1 (0.72) CNR1CNR2KCNH2
SCHEMBL15200804 0.83 CNR1 (1.00) CNR1CNR2KCNH2
SCHEMBL5236621 0.83 CNR1 (0.80) CNR1CNR2KCNH2
SCHEMBL5234811 0.82 CNR1 (0.84) CNR1CNR2KCNH2
SCHEMBL15200900 0.81 CNR1 (1.00) CNR1CNR2KCNH2
SCHEMBL15201068 0.81 CNR1 (0.89) CNR1CNR2
SCHEMBL31038579 0.81 CNR1 (0.79) CNR1CNR2KCNH2
SCHEMBL15200826 0.80 CNR1 (1.00) CNR1CNR2
SCHEMBL15200689 0.80 CNR1 (1.00) CNR1CNR2KCNH2
SCHEMBL15200793 0.80 CNR1 (1.00) CNR1CNR2KCNH2

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100439369-C Purine compounds and their use as cannabinoid receptor ligands PFIZER (US) 2008-12-03 CN claimed
CN-1708499-A Purine compounds and their use as cannabinoid receptor ligands PFIZER (US) 2005-12-14 CN claimed
CN-100478343-C Purine compound and use as cannabinoid receptor ligands PFIZER (US) 2009-04-15 CN disclosed
CN-100439369-C Purine compounds and their use as cannabinoid receptor ligands PFIZER (US) 2008-12-03 CN disclosed
CN-1955182-A Purine compound and use as cannabinoid receptor ligands PFIZER (US) 2007-05-02 CN disclosed
CN-1955181-A Purine compound and use as cannabinoid receptor ligands PFIZER (US) 2007-05-02 CN disclosed
CN-1708499-A Purine compounds and their use as cannabinoid receptor ligands PFIZER (US) 2005-12-14 CN disclosed