SCHEMBL1985124

SCHEMBL1985124

NC1(C(=O)NS(=O)(=O)C2CC2)CC1C1CC1

nearest known ligand 0.33

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
GRM1 Q13255 1/20 0.33

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
SCHEMBL668656 1.00 GRM1 (0.33) GRM1
SCHEMBL7945360 1.00 GRM1 (0.33) GRM1
SCHEMBL13379690 1.00 GRM1 (0.33) GRM1
Hydrochloric Acid SCHEMBL1634710 0.98 GRM1 (0.33) GRM1
SCHEMBL11972912 0.84 SCN9A (0.32)
SCHEMBL13392838 0.81
SCHEMBL12868625 0.79
SCHEMBL7931844 0.79
SCHEMBL2630593 0.79
SCHEMBL7936958 0.76 GRM1 (0.31) GRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2337784-A1 MACROCYCLIC COMPOUNDS AS HEPATITIS C VIRUS INHIBITORS Bristol-Myers Squibb Company (US) 2011-06-29 EP disclosed
EP-2331552-A1 HEPATITIS C VIRUS INHIBITORS Bristol-Myers Squibb Company (US) 2011-06-15 EP disclosed
WO-2010036551-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2010-04-01 WO disclosed
WO-2010036871-A1 MACROCYCLIC COMPOUNDS AS HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2010-04-01 WO disclosed