SCHEMBL5320176

SCHEMBL5320176

CCCCN(Cc1ccccc1)C(N)=S

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 1/20 0.55
GRIN3B O60391 1/20 0.55
GRIN1 Q05586 1/20 0.55
GRIN2A Q12879 1/20 0.55
GRIN2B Q13224 1/20 0.55
GRIN2C Q14957 1/20 0.55
GRIN3A Q8TCU5 1/20 0.55
ALDH1A1 P00352 3/20 0.50
MGLL Q99685 2/20 0.50
PKM P14618 2/20 0.48
HDAC1 Q13547 2/20 0.48
HDAC6 Q9UBN7 2/20 0.48
LTB4R2 Q9NPC1 3/20 0.46
LIMK1 P53667 1/20 0.46
LIMK2 P53671 1/20 0.46
CNR2 P34972 1/20 0.46
HDAC3 O15379 1/20 0.45
HDAC2 Q92769 1/20 0.45
LMNA P02545 1/20 0.45
GAA P10253 1/20 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
SCHEMBL8805242 0.83 GRIN2D (0.77) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL3928463 0.83 GRIN2D (0.55) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL21603953 0.82 MGLL (0.66) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL3201349 0.82 MGLL (0.61) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL1341392 0.81 GAA (0.54) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL1753870 0.81 HDAC6 (0.58) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
Thiourea SCHEMBL28139200 0.80 MGLL (0.59) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL9294057 0.79 ALDH1A1 (0.45) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL5455537 0.78 ALDH1A1 (0.69) ALDH1A1LMNAGAA
SCHEMBL11050378 0.78 HDAC6 (0.56) 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
WO-2007090134-A2 USE OF VANILLOID RECEPTOR-1 ANTAGONISTS FOR THE PREVENTION AND TREATMENT OF GLAUCOMA ALCON MANUFACTURING, LTD. (US) 2007-08-09 WO claimed