SCHEMBL4680943

SCHEMBL4680943

CC(C)(C)OC(=O)Oc1nc(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2)nc1C(=O)N[C@@H]1CCCC[C@@H]1O

nearest known ligand 0.50

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 19/20 0.50
CNR2 P34972 3/20 0.50
TACR2 P21452 1/20 0.45
TRPV1 Q8NER1 1/20 0.42

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
SCHEMBL4676879 1.00 CNR1 (0.50) CNR1CNR2TACR2TRPV1
SCHEMBL4677622 0.86 CNR1 (0.52) CNR1CNR2TACR2TRPV1
SCHEMBL4677619 0.86 CNR1 (0.52) CNR1CNR2TACR2TRPV1
SCHEMBL4677625 0.86 CNR1 (0.52) CNR1CNR2TACR2TRPV1
SCHEMBL4677897 0.86 CNR1 (0.52) CNR1CNR2TACR2TRPV1
SCHEMBL4677901 0.86 CNR1 (0.52) CNR1CNR2TACR2TRPV1
SCHEMBL4676935 0.80 CNR1 (0.62) CNR1CNR2
SCHEMBL4681579 0.78 CNR1 (0.55) CNR1CNR2TRPV1
SCHEMBL4681584 0.78 CNR1 (0.55) CNR1CNR2TRPV1
SCHEMBL4677448 0.78 CNR1 (0.55) CNR1CNR2TRPV1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1638953-B1 3-SUBSTITUTED 5,6-DIARYL-PYRAZINE-2-CARBOXAMIDE AND -2-SULFONAMIDE DERIVATIVES AS CB1 MODULATORS ASTRAZENECA AB (SE) 2008-08-27 EP claimed