SCHEMBL8909879

SCHEMBL8909879

CC1(C)C2CC[C@]1(C)CN(C(=O)C13CC4CC(CC1C4)C3)C2

nearest known ligand 0.43

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 11/20 0.43
HIF1A Q16665 1/20 0.35
CNR2 P34972 1/20 0.34
HSD11B1 P28845 4/20 0.34
HTR1A P08908 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL8910246 0.78 SIGMAR1 (0.43) SIGMAR1HIF1AHSD11B1
SCHEMBL8910607 0.77 BPTF (0.49) SIGMAR1HIF1AHSD11B1
SCHEMBL8908776 0.76 SIGMAR1 (0.41) SIGMAR1HIF1A
SCHEMBL5499445 0.75 SIGMAR1 (0.47) SIGMAR1HIF1A
SCHEMBL8909808 0.74 SIGMAR1 (0.53) SIGMAR1HIF1AHSD11B1
SCHEMBL18434095 0.72 HSD11B1 (0.47) CNR2HSD11B1HTR1AL3MBTL1
SCHEMBL18434074 0.71 HSD11B1 (0.44) CNR2HSD11B1HTR1AL3MBTL1
SCHEMBL8910605 0.71 SIGMAR1 (0.60) SIGMAR1HIF1AHSD11B1
SCHEMBL8908675 0.69 SIGMAR1 (0.36) SIGMAR1CNR2HSD11B1
SCHEMBL8908767 0.69 SIGMAR1 (0.46) SIGMAR1HIF1AHSD11B1

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-5658923-A USED IN TREATING DISEASES RELATED TO SIGMA-RECEPTOR, SUCH AS SCHIZOPHRENIA ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) 1997-08-19 US disclosed