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SCHEMBL2772044

SCHEMBL2772044

CCC1(c2nc(-c3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)cs2)CCCC1.COC1(c2nc(-c3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)cs2)CCCC1

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 10/20 0.53
▸ CNR1 P21554 8/20 0.53
▸ PTGS2 P35354 6/20 0.37
▸ PTGS1 P23219 6/20 0.34
▸ CA1 P00915 1/20 0.32
▸ CA2 P00918 1/20 0.32
▸ MGAM O43451 1/20 0.32
▸ GAA P10253 1/20 0.32
▸ SI P14410 1/20 0.32
▸ MGAM2 Q2M2H8 1/20 0.32

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
SCHEMBL2774342 0.92 CNR2 (0.61) CNR2CNR1PTGS2PTGS1CA1
SCHEMBL2771943 0.92 CNR2 (0.61) CNR2CNR1PTGS2PTGS1CA1
SCHEMBL12848858 0.82 CNR2 (0.50) CNR2CNR1PTGS2PTGS1
SCHEMBL4934621 0.76 CNR2 (0.80) CNR2CNR1PTGS2PTGS1CA1
SCHEMBL1927934 0.73 CNR2 (0.84) CNR2CNR1PTGS2PTGS1CA1
SCHEMBL12796917 0.73 PTGS2 (0.44) CNR2CNR1PTGS2PTGS1CA1
SCHEMBL4938480 0.70 CNR2 (0.62) CNR2CNR1PTGS2PTGS1CA1
SCHEMBL2772965 0.69 CNR2 (1.00) CNR2CNR1PTGS2PTGS1CA1
SCHEMBL2773785 0.69 CNR2 (0.77) CNR2CNR1PTGS2PTGS1CA1
SCHEMBL2772364 0.69 CNR2 (1.00) CNR2CNR1PTGS2PTGS1CA1

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-2201007-A1 CANNABINOID RECEPTOR LIGANDS IPSEN PHARMA S.A.S. (FR) 2010-06-30 — — EP claimed
WO-2009071753-A1 CANNABINOID RECEPTOR LIGANDS IPSEN PHARMA S.A.S. (FR) 2009-06-11 — — WO claimed