SCHEMBL550026

SCHEMBL550026

COc1ccc(N2CCCC3(CCN(C4CCC(O)CC4)C3=O)C2)c(C)n1

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 3/20 0.35
PIK3CA P42336 7/20 0.35
MTOR P42345 4/20 0.35
AKT1 P31749 1/20 0.35
HCRTR1 O43613 3/20 0.34
HCRTR2 O43614 3/20 0.34
HTR1A P08908 1/20 0.34
TSPO P30536 1/20 0.34
OTUD7B Q6GQQ9 1/20 0.33
OPRL1 P41146 1/20 0.31
AADAT Q8N5Z0 1/20 0.31
PDE7A Q13946 1/20 0.31
PRKDC P78527 1/20 0.30

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
SCHEMBL549960 1.00 HSD11B1 (0.35) HSD11B1PIK3CAMTORAKT1HCRTR1
SCHEMBL2700933 1.00 HSD11B1 (0.35) HSD11B1PIK3CAMTORAKT1HCRTR1
SCHEMBL550025 1.00 HSD11B1 (0.35) HSD11B1PIK3CAMTORAKT1HCRTR1
SCHEMBL549959 1.00 HSD11B1 (0.35) HSD11B1PIK3CAMTORAKT1HCRTR1
SCHEMBL2700934 1.00 HSD11B1 (0.35) HSD11B1PIK3CAMTORAKT1HCRTR1
SCHEMBL550543 0.84 HCRTR1 (0.36) HSD11B1PIK3CAMTORHCRTR1HCRTR2
SCHEMBL550544 0.84 HCRTR1 (0.36) HSD11B1PIK3CAMTORHCRTR1HCRTR2
SCHEMBL551680 0.84 HCRTR1 (0.36) HSD11B1PIK3CAMTORHCRTR1HCRTR2
SCHEMBL551681 0.84 HCRTR1 (0.36) HSD11B1PIK3CAMTORHCRTR1HCRTR2
SCHEMBL2698071 0.84 HCRTR1 (0.36) HSD11B1PIK3CAMTORHCRTR1HCRTR2

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
US-8110581-B2 Lactam compounds and their use as pharmaceuticals INCYTE CORPORATION (US) 2012-02-07 US claimed