SCHEMBL8103948

SCHEMBL8103948

CC(O)C1C2CC3CC1CC(c1ccccc1)(C3)C2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 3/20 0.41
GRIN2D O15399 2/20 0.41
GRIN3B O60391 2/20 0.41
GRIN1 Q05586 2/20 0.41
GRIN2A Q12879 2/20 0.41
GRIN2C Q14957 2/20 0.41
GRIN3A Q8TCU5 2/20 0.41
LMNA P02545 3/20 0.39
ALDH1A1 P00352 2/20 0.39
NPC1 O15118 1/20 0.38
EPHX2 P34913 6/20 0.37
MAPT P10636 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
POLB P06746 1/20 0.36
GAA P10253 1/20 0.36
GFER P55789 1/20 0.36
HSD11B1 P28845 1/20 0.35
HTT P42858 1/20 0.33
RAD52 P43351 1/20 0.33

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
SCHEMBL181479 0.75 GRIN2D (0.62) GRIN2BGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL24139616 0.75 NPC1 (0.48) GRIN2BGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL4412220 0.75 GRIN2D (0.50) GRIN2BGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL19149356 0.74 NPC1 (0.43) GRIN2BGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL19174091 0.74 KDM1A (0.40) GRIN2BGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL6851086 0.73 ALDH1A1 (0.47) GRIN2BGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL19173144 0.72 MEN1 (0.44) GRIN2BGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL24274017 0.72 GRIN2D (0.44) GRIN2BGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL8103945 0.72 GRIN2D (0.41) GRIN2BGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL8090144 0.72 NPC1 (0.44) GRIN2BGRIN2DGRIN3BGRIN1GRIN2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0661271-B1 AZEPINE DERIVATIVES, PRODUCTION THEREOF, AND USE THEREOF AS SIGMA-RECEPTOR LIGANDS ASAHI CHEMICAL IND (JP) 2000-04-26 EP disclosed
US-5658923-A USED IN TREATING DISEASES RELATED TO SIGMA-RECEPTOR, SUCH AS SCHIZOPHRENIA ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) 1997-08-19 US disclosed
EP-0661271-A1 AZEPINE DERIVATIVE, PRODUCTION THEREOF, AND USE THEREOF Asahi Kasei Kogyo Kabushiki Kaisha (JP) 1995-07-05 EP disclosed