SCHEMBL7375546

SCHEMBL7375546

CCc1ccccc1NC(N)=Nc1cccc(OC)c1.CCc1ccccc1NC(N)=Nc1cccc2c1CCC2

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 7/20 0.57
GRIN2D O15399 3/20 0.54
GRIN3B O60391 3/20 0.54
GRIN1 Q05586 3/20 0.54
GRIN2A Q12879 3/20 0.54
GRIN2B Q13224 3/20 0.54
GRIN2C Q14957 3/20 0.54
GRIN3A Q8TCU5 3/20 0.54
LMNA P02545 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HTR3E A5X5Y0 1/20 0.40
HTR3B O95264 1/20 0.40
HTR3A P46098 1/20 0.40
HTR3D Q70Z44 1/20 0.40
HTR3C Q8WXA8 1/20 0.40
NOS3 P29474 2/20 0.40
NOS1 P29475 2/20 0.40
NOS2 P35228 2/20 0.40
TAAR1 Q96RJ0 1/20 0.40
CRHR1 P34998 1/20 0.39

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
SCHEMBL6720731 0.88 SIGMAR1 (0.73) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL6728972 0.86 SIGMAR1 (0.64) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL7375903 0.86 SIGMAR1 (0.58) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL7378412 0.85 SIGMAR1 (0.57) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL6721388 0.81 SIGMAR1 (0.63) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL7378408 0.77 SIGMAR1 (0.61) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL7375544 0.75 LMNA (0.51) LMNASMN1; SMN2NPC1CASP3RAB9A
SCHEMBL8996665 0.75 SIGMAR1 (1.00) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL9438320 0.73 SIGMAR1 (0.62) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL7351932 0.73 SIGMAR1 (0.71) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A

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-5190976-A Neuroprotective STATE OF OREGON, ACTING BY AND THROUGH THE OREGON STATE BOARD OF HIGHER EDUCATION, ACTING FOR AND ON BEHALF OF THE OREGON HEALTH SCIENCES UNIVERSITY AND UNIVERSITY OF OREGON (US) 1993-03-02 US disclosed