SCHEMBL550357

SCHEMBL550357

N#Cc1ccccc1N1CCCC2(CCN([C@H]3CC[C@H](O)CC3)C2=O)C1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 3/20 0.38
HCRTR1 O43613 1/20 0.38
HCRTR2 O43614 1/20 0.38
AR P10275 1/20 0.37
GRM5 P41594 1/20 0.37
HTR1A P08908 2/20 0.37
ADRA1A P35348 1/20 0.37
ADRA1B P35368 1/20 0.37
DRD2 P14416 1/20 0.34
HTR7 P34969 1/20 0.34
C5AR1 P21730 1/20 0.34
GRM1 Q13255 1/20 0.34

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
SCHEMBL2700804 1.00 HSD11B1 (0.38) HSD11B1HCRTR1HCRTR2ARGRM5
SCHEMBL2700806 1.00 HSD11B1 (0.38) HSD11B1HCRTR1HCRTR2ARGRM5
SCHEMBL550358 1.00 HSD11B1 (0.38) HSD11B1HCRTR1HCRTR2ARGRM5
SCHEMBL550482 1.00 HSD11B1 (0.38) HSD11B1HCRTR1HCRTR2ARGRM5
SCHEMBL550483 1.00 HSD11B1 (0.38) HSD11B1HCRTR1HCRTR2ARGRM5
SCHEMBL550943 0.88 HSD11B1 (0.39) HSD11B1HCRTR1HCRTR2GRM5HTR1A
SCHEMBL2699861 0.88 HSD11B1 (0.39) HSD11B1HCRTR1HCRTR2GRM5HTR1A
SCHEMBL17082093 0.87 HSD11B1 (0.35) HSD11B1AR
SCHEMBL550210 0.87 HSD11B1 (0.35) HSD11B1AR
SCHEMBL4572368 0.87 HSD11B1 (0.35) HSD11B1AR

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