SCHEMBL4612937

SCHEMBL4612937

O=S(=O)(CCC(F)(F)F)Oc1ccc(-c2sc(C(=S)NC3CCC(F)(F)CC3)nc2-c2ccc(Cl)cc2Cl)cc1.O=S(=O)(CCC(F)(F)F)Oc1ccc(-c2sc(C(=S)NC3CCCCC3O)nc2-c2ccc(Cl)cc2Cl)cc1

nearest known ligand 0.53

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 20/20 0.53
CNR2 P34972 1/20 0.37

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
SCHEMBL4250316 0.94 CNR1 (0.49) CNR1CNR2
SCHEMBL4250120 0.94 CNR1 (0.58) CNR1CNR2
SCHEMBL4249810 0.85 CNR1 (0.41) CNR1CNR2
SCHEMBL4251647 0.84 CNR1 (0.61) CNR1CNR2
SCHEMBL4250124 0.77 CNR1 (0.45) CNR1CNR2
SCHEMBL4251649 0.76 CNR1 (0.47) CNR1CNR2
SCHEMBL4612742 0.74 CNR1 (0.51) CNR1CNR2
SCHEMBL4253966 0.73 CNR1 (0.73) CNR1
SCHEMBL4242621 0.73 CNR1 (0.87) CNR1
SCHEMBL4250952 0.71 CNR1 (0.58) CNR1

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-1910304-A2 THERAPEUTIC AGENTS AstraZeneca AB (SE) 2008-04-16 EP disclosed
WO-2007010222-A2 THERAPEUTIC AGENTS ASTRAZENECA AB (SE) 2007-01-25 WO disclosed