SCHEMBL18399348

SCHEMBL18399348

Cc1ccc2c(c1)c1c(n2CC(O)c2ccc(C=O)cc2)CN(C)CC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 2/20 0.52
GRIN3B O60391 2/20 0.52
GRIN1 Q05586 2/20 0.52
GRIN2A Q12879 2/20 0.52
GRIN2B Q13224 2/20 0.52
GRIN2C Q14957 2/20 0.52
GRIN3A Q8TCU5 2/20 0.52
BCHE P06276 2/20 0.51
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
HTR6 P50406 10/20 0.45
HRH1 P35367 7/20 0.45
ADRA2A P08913 3/20 0.45
HTR2A P28223 3/20 0.45
HTR2C P28335 3/20 0.45
HTR7 P34969 3/20 0.45
ADRA1A P35348 3/20 0.45
HDAC6 Q9UBN7 2/20 0.45
HDAC1 Q13547 1/20 0.45
DRD2 P14416 2/20 0.44

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
SCHEMBL18399357 0.93 GRIN2D (0.53) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL13654636 0.91 GRIN1 (0.59) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL12820249 0.87 HTR6 (0.57) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL13654632 0.86 GRIN2D (0.62) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL13833925 0.85 HTR6 (0.58) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL12820252 0.85 HRH1 (0.57) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL18399358 0.84 GRIN2D (0.47) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL13654630 0.84 GRIN2D (0.52) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL18399355 0.83 HDAC1 (0.46) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL3229649 0.83 GRIN2D (0.60) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B

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-9550782-B2 Compounds and methods for treating diabetes MEDIVATION TECHNOLOGIES, INC. (US) 2017-01-24 US disclosed