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SCHEMBL2777313

SCHEMBL2777313

CC(C)(C)c1cc(-c2csc(C3(N)CCSCC3)n2)cc(C(C)(C)C)c1O.CN(C)C1(c2nc(-c3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)cs2)CCOCC1

nearest known ligand 0.81

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 10/20 0.81
▸ CNR1 P21554 8/20 0.81
▸ PTGS2 P35354 3/20 0.34
▸ PTGS1 P23219 2/20 0.34
▸ 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
SCHEMBL2772584 0.90 CNR2 (1.00) CNR2CNR1PTGS2PTGS1
Hydrochloric Acid SCHEMBL6525519 0.89 CNR2 (0.98) CNR2CNR1PTGS2PTGS1
SCHEMBL2773785 0.89 CNR2 (0.77) CNR2CNR1PTGS2PTGS1MGAM
SCHEMBL2773050 0.88 CNR2 (1.00) CNR2CNR1PTGS2PTGS1MGAM
SCHEMBL2772965 0.87 CNR2 (1.00) CNR2CNR1PTGS2PTGS1MGAM
Hydrochloric Acid SCHEMBL6525094 0.86 CNR2 (0.98) CNR2CNR1PTGS2PTGS1MGAM
SCHEMBL2773054 0.84 CNR2 (0.87) CNR2CNR1PTGS2PTGS1
Hydrochloric Acid SCHEMBL6521971 0.83 CNR2 (0.85) CNR2CNR1PTGS2PTGS1
SCHEMBL1927934 0.82 CNR2 (0.84) CNR2CNR1PTGS2PTGS1MGAM
SCHEMBL2772364 0.81 CNR2 (1.00) CNR2CNR1PTGS2PTGS1

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