SCHEMBL6565280

SCHEMBL6565280

CC1CC(N(CCc2ccccc2)C(=O)OC(C)(C)C)OC1=O

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
NAAA Q02083 3/20 0.35
OPRM1 P35372 2/20 0.35
PKM P14618 1/20 0.35
ALDH1A1 P00352 1/20 0.35

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
SCHEMBL6565283 1.00 HSD11B1 (0.38) HSD11B1L3MBTL1NPSR1NAAAOPRM1
SCHEMBL162237 0.82 L3MBTL1 (0.41) HSD11B1L3MBTL1NPSR1OPRM1PKM
SCHEMBL2968353 0.82 L3MBTL1 (0.41) HSD11B1L3MBTL1NPSR1OPRM1PKM
SCHEMBL997079 0.82 L3MBTL1 (0.41) HSD11B1L3MBTL1NPSR1OPRM1PKM
SCHEMBL19260910 0.72 OPRM1 (0.45) HSD11B1L3MBTL1OPRM1PKM
Formic Acid SCHEMBL27903276 0.72 L3MBTL1 (0.47) HSD11B1L3MBTL1OPRM1PKM
SCHEMBL3640549 0.71 AOC3 (0.47) L3MBTL1
SCHEMBL30722353 0.71 HSD11B1 (0.39) HSD11B1L3MBTL1OPRM1PKMALDH1A1
SCHEMBL26966058 0.71 HSD11B1 (0.39) HSD11B1L3MBTL1OPRM1PKMALDH1A1
SCHEMBL5968911 0.71 L3MBTL1 (0.37) L3MBTL1NAAA

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-1448520-A1 BENZAMIDE DERIVATIVES, PROCESSES FOR THEIR PREPARATION, AND THEIR PHARMACEUTICAL USE SMITHKLINE BEECHAM PLC (GB) 2004-08-25 EP disclosed
WO-2003045913-A1 BENZAMIDE DERIVATIVES, PROCESSES FOR THEIR PREPARATION, AND THEIR PHARMACEUTICAL USE SMITHKLINE BEECHAM P.L.C. (GB) 2003-06-05 WO disclosed