SCHEMBL7636634

SCHEMBL7636634

COc1cccc(CN=C(N)N)c1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 4/20 0.67
GRIN1 Q05586 3/20 0.67
GRIN2D O15399 2/20 0.67
GRIN3B O60391 2/20 0.67
GRIN2A Q12879 2/20 0.67
GRIN2C Q14957 2/20 0.67
GRIN3A Q8TCU5 2/20 0.67
HTR3E A5X5Y0 2/20 0.59
HTR3B O95264 2/20 0.59
HTR3A P46098 2/20 0.59
HTR3D Q70Z44 2/20 0.59
HTR3C Q8WXA8 2/20 0.59
HTR1A P08908 1/20 0.57
ADRA2A P08913 1/20 0.57
MAOA P21397 1/20 0.57
DRD1 P21728 1/20 0.57
SLC6A2 P23975 1/20 0.57
ADRA1A P35348 1/20 0.57
OPRM1 P35372 1/20 0.57
DRD3 P35462 1/20 0.57

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
SCHEMBL2179223 0.83 HTR3E (0.61) GRIN2BGRIN1GRIN2DGRIN3BGRIN2A
SCHEMBL9490171 0.81 TAAR1 (0.60) TAAR1IDO1AGXT
SCHEMBL7636620 0.80 GRIN2B (0.52) GRIN2BGRIN1HTR3EHTR3BHTR3A
SCHEMBL3004829 0.78 TAAR1 (0.56) GRIN2BGRIN1TAAR1IDO1AGXT
SCHEMBL4093147 0.78 GRIN2B (0.65) GRIN2BGRIN1GRIN2DGRIN3BGRIN2A
SCHEMBL11114919 0.77 GRIN2B (0.50) GRIN2BGRIN1TAAR1IDO1AGXT
SCHEMBL11488999 0.77 TAAR1 (0.55) GRIN2BGRIN1TAAR1IDO1AGXT
SCHEMBL15219801 0.77 TAAR1 (0.55) GRIN2BGRIN1TAAR1IDO1AGXT
SCHEMBL10156019 0.76 GRIN2B (0.49) GRIN2BGRIN1
SCHEMBL5243976 0.75 SMN1; SMN2 (0.57) GRIN2BGRIN1GRIN2DGRIN3BGRIN2A

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-6399658-B1 REDUCING DRUG SIDE EFFECT SUMITOMO PHARMACEUTICALS CO., LTD. (JP) 2002-06-04 US disclosed