SCHEMBL8103945

SCHEMBL8103945

OCCC1C2CC3CC1CC(c1ccccc1)(C3)C2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 2/20 0.41
GRIN3B O60391 2/20 0.41
GRIN1 Q05586 2/20 0.41
GRIN2A Q12879 2/20 0.41
GRIN2B Q13224 2/20 0.41
GRIN2C Q14957 2/20 0.41
GRIN3A Q8TCU5 2/20 0.41
LMNA P02545 5/20 0.39
ALDH1A1 P00352 3/20 0.39
SMN1; SMN2 Q16637 1/20 0.36
EPHX2 P34913 3/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
GAA P10253 2/20 0.36
POLB P06746 1/20 0.36
GFER P55789 1/20 0.36
RAB9A P51151 1/20 0.35
OPRK1 P41145 1/20 0.35
HIF1A Q16665 1/20 0.35
EPAS1 Q99814 1/20 0.35

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
SCHEMBL8090139 0.80 HSD11B1 (0.47) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL181479 0.75 GRIN2D (0.62) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL4412220 0.75 GRIN2D (0.50) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL8097125 0.75 LMNA (0.45) LMNAHIF1AEPAS1NPC1HSD11B1
SCHEMBL19149356 0.74 NPC1 (0.43) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL6851086 0.73 ALDH1A1 (0.47) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL24139616 0.72 NPC1 (0.48) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL19173144 0.72 MEN1 (0.44) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL24274017 0.72 GRIN2D (0.44) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL8103948 0.72 GRIN2B (0.41) 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 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