SCHEMBL550933

SCHEMBL550933

N#Cc1ccnc(N2CCCC3(CCN([C@H]4CC[C@@H](O)CC4)C3=O)C2)c1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 5/20 0.46
HTR7 P34969 1/20 0.44
LCAT P04180 1/20 0.42
HCRTR1 O43613 7/20 0.41
HCRTR2 O43614 7/20 0.41
KCNJ1 P48048 1/20 0.40
HRH3 Q9Y5N1 1/20 0.38
MAP3K12 Q12852 2/20 0.38
DLK1 P80370 1/20 0.38
DRG1 Q9Y295 1/20 0.38
USP30 Q70CQ3 1/20 0.38
MALT1 Q9UDY8 1/20 0.37
MAP3K13 O43283 1/20 0.37
MAPK8 P45983 1/20 0.37
MAPK9 P45984 1/20 0.37
MAPK10 P53779 1/20 0.37
MAP3K9 P80192 1/20 0.37
MAP3K10 Q02779 1/20 0.37
MAP3K11 Q16584 1/20 0.37

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
SCHEMBL2699428 1.00 HSD11B1 (0.46) HSD11B1HTR7LCATHCRTR1HCRTR2
SCHEMBL2699962 1.00 HSD11B1 (0.46) HSD11B1HTR7LCATHCRTR1HCRTR2
SCHEMBL2699432 1.00 HSD11B1 (0.46) HSD11B1HTR7LCATHCRTR1HCRTR2
SCHEMBL550934 1.00 HSD11B1 (0.46) HSD11B1HTR7LCATHCRTR1HCRTR2
SCHEMBL548640 1.00 HSD11B1 (0.46) HSD11B1HTR7LCATHCRTR1HCRTR2
SCHEMBL549724 1.00 HSD11B1 (0.46) HSD11B1HTR7LCATHCRTR1HCRTR2
SCHEMBL551416 1.00 HSD11B1 (0.46) HSD11B1HTR7LCATHCRTR1HCRTR2
SCHEMBL548641 1.00 HSD11B1 (0.46) HSD11B1HTR7LCATHCRTR1HCRTR2
SCHEMBL4790365 0.91 HSD11B1 (0.47) HSD11B1HTR7LCATHCRTR1HCRTR2
SCHEMBL4723036 0.91 HSD11B1 (0.47) HSD11B1HTR7LCATHCRTR1HCRTR2

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