SCHEMBL8399381

SCHEMBL8399381

CC(C)c1ccc(CN=C(N)N)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F11 P03951 1/20 0.47
HTR3E A5X5Y0 1/20 0.47
HTR3B O95264 1/20 0.47
HTR3A P46098 1/20 0.47
HTR3D Q70Z44 1/20 0.47
HTR3C Q8WXA8 1/20 0.47
GRIN2D O15399 5/20 0.47
GRIN3B O60391 5/20 0.47
GRIN1 Q05586 5/20 0.47
GRIN2A Q12879 5/20 0.47
GRIN2B Q13224 5/20 0.47
GRIN2C Q14957 5/20 0.47
GRIN3A Q8TCU5 5/20 0.47
IDO1 P14902 2/20 0.47
TAAR1 Q96RJ0 2/20 0.46
ALDH1A1 P00352 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
HTT P42858 1/20 0.44
NOS3 P29474 2/20 0.43
NOS1 P29475 2/20 0.43

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
SCHEMBL1737052 0.82 GRIN1 (0.62) F11HTR3EHTR3BHTR3AHTR3D
SCHEMBL7635935 0.79 GRIN1 (0.54) F11HTR3EHTR3BHTR3AHTR3D
SCHEMBL4097844 0.77 GRIN2D (0.52) F11HTR3EHTR3BHTR3AHTR3D
SCHEMBL9667523 0.77 TAAR1 (0.71) F11HTR3EHTR3BHTR3AHTR3D
SCHEMBL4397637 0.76 IDO1 (0.50) IDO1ALDH1A1SMN1; SMN2RAB9A
Hydrochloric Acid SCHEMBL19520756 0.75 GRIN2D (0.55) F11HTR3EHTR3BHTR3AHTR3D
SCHEMBL4094076 0.74 GRIN2D (0.54) F11HTR3EHTR3BHTR3AHTR3D
SCHEMBL13569807 0.72 IDO1 (0.47) IDO1ALDH1A1SMN1; SMN2HTTRAB9A
SCHEMBL17351900 0.72 GRIN2B (0.52) F11HTR3EHTR3BHTR3AHTR3D
SCHEMBL4093147 0.72 GRIN2B (0.65) F11HTR3EHTR3BHTR3AHTR3D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0918460-A1 METHODS OF TREATMENT OF EYE TRAUMA AND DISORDERS CAMBRIDGE NEUROSCIENCE, INC. (US) 1999-06-02 EP disclosed
WO-1998004131-A1 METHODS OF TREATMENT OF EYE TRAUMA AND DISORDERS CAMBRIDGE NEUROSCIENCE, INC. (US) 1998-02-05 WO disclosed