SCHEMBL9440893

SCHEMBL9440893

NC(=Nc1ccc(C=Cc2ccccc2)cc1)NC12CC3CC(CC(C3)C1)C2

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 8/20 0.50
GRIN2D O15399 2/20 0.49
GRIN3B O60391 2/20 0.49
GRIN1 Q05586 2/20 0.49
GRIN2A Q12879 2/20 0.49
GRIN2B Q13224 2/20 0.49
GRIN2C Q14957 2/20 0.49
GRIN3A Q8TCU5 2/20 0.49
FAAH O00519 1/20 0.43
EPHX2 P34913 2/20 0.42
ALDH1A1 P00352 2/20 0.41
HPGD P15428 2/20 0.41
MAPK1 P28482 1/20 0.40
EPHX1 P07099 1/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
CHRNA7 P36544 1/20 0.39
CNR2 P34972 1/20 0.38
KDM4E B2RXH2 1/20 0.38
MAPT P10636 1/20 0.38

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
SCHEMBL6724211 0.87 SIGMAR1 (0.58) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL8996699 0.83 SIGMAR1 (0.52) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL8419041 0.79 EPHX2 (0.51) SIGMAR1FAAHEPHX2CNR2
SCHEMBL6155758 0.71 SIGMAR1 (0.50) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL6158260 0.71 SIGMAR1 (0.50) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL8952147 0.70 SIGMAR1 (0.51) SIGMAR1FAAHEPHX2ALDH1A1HPGD
SCHEMBL8952146 0.70 SIGMAR1 (0.51) SIGMAR1FAAHEPHX2ALDH1A1HPGD
SCHEMBL6154925 0.69 SIGMAR1 (0.52) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
Hydrochloric Acid SCHEMBL6155152 0.69 SIGMAR1 (0.56) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL6724442 0.68 SIGMAR1 (0.53) 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
EP-0473671-B1 USE OF SIGMA-RECEPTORS LIGANDS FOR THE MANUFACTURE OF AN ANXIOLYTIC AGENT OREGON STATE (US) 1994-08-24 EP disclosed