SCHEMBL8400992

SCHEMBL8400992

CC(C)c1cccc(N=C(N)N)c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 1/20 0.64
GRIN3B O60391 1/20 0.64
GRIN1 Q05586 1/20 0.64
GRIN2A Q12879 1/20 0.64
GRIN2B Q13224 1/20 0.64
GRIN2C Q14957 1/20 0.64
GRIN3A Q8TCU5 1/20 0.64
SIGMAR1 Q99720 1/20 0.64
HTR3E A5X5Y0 8/20 0.58
HTR3B O95264 8/20 0.58
HTR3A P46098 8/20 0.58
HTR3D Q70Z44 8/20 0.58
HTR3C Q8WXA8 8/20 0.58
CPN1 P15169 1/20 0.54
CPB2 Q96IY4 1/20 0.54
SLC22A2 O15244 2/20 0.53
SLC22A1 O15245 2/20 0.53
SLC22A3 O75751 2/20 0.53
PLAU P00749 2/20 0.53
TAAR1 Q96RJ0 1/20 0.51

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
SCHEMBL6719923 0.79 SIGMAR1 (1.00) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL17707299 0.77 GRIN2D (0.50) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL17707302 0.77 GRIN2D (0.50) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL6724064 0.74 SIGMAR1 (0.67) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL28389086 0.74 GRIN2D (0.47) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL8283388 0.74 GRIN2D (0.47) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL1885159 0.74 HTR3E (1.00) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL2514099 0.73 IDO1 (0.58) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL12270170 0.72 ALDH1A1 (0.50) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL28416120 0.72 GRIN2D (0.46) 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 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