SCHEMBL27601050

SCHEMBL27601050

C1=CN2CCc3cccc(c32)O1

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.35
HTR2C P28335 1/20 0.34
NISCH Q9Y2I1 1/20 0.33
ADRA2A P08913 1/20 0.33
CYP2D6 P10635 1/20 0.33
ADRA2B P18089 1/20 0.33
ADRA2C P18825 1/20 0.33
ADRA1D P25100 1/20 0.33
ADRA1A P35348 1/20 0.33
ADRA1B P35368 1/20 0.33
NPSR1 Q6W5P4 1/20 0.32
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA4 P22748 1/20 0.31
CA7 P43166 1/20 0.31
CA9 Q16790 1/20 0.31

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
SCHEMBL10816385 0.68 HTR2C (0.37) NOTUMHTR2CADRA2ACYP2D6ADRA2B
SCHEMBL16059336 0.67
SCHEMBL8183764 0.67
SCHEMBL4837604 0.67 OXTR (0.31) HTR2C
SCHEMBL3020239 0.66
SCHEMBL10153320 0.62 HTR2C (0.67) NOTUMHTR2CADRA2ACYP2D6ADRA2B
SCHEMBL2343783 0.62 HTR2C (0.33) NOTUMHTR2C
SCHEMBL10576926 0.60 MAOA (0.35) NOTUM
SCHEMBL11536660 0.60 HTR1A (0.48) CA12CA1CA2CA4CA7
SCHEMBL10370451 0.59 MAOA (0.35) NOTUMHTR2CCYP2D6ADRA2BADRA2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100410236-C Substituted methylene amide derivatives as protein tyrosine phosphatase modulators APPLIED RESEARCH SYSTEMS (CH) 2008-08-13 CN disclosed
CN-101001642-A Combination therapy for diabetes, obesity and cardiovascular disease using GDF-8 inhibitors WYETH CORP (US) 2007-07-18 CN disclosed
CN-1633410-A Substituted methylene amide derivatives as protein tyrosine phosphatase modulators APPLIED RESEARCH SYSTEMS (AN) 2005-06-29 CN disclosed