SCHEMBL8909813

SCHEMBL8909813

CC1(C)C2CC[C@]1(C)CN(C(=O)CC1CC3CCC1C3)C2

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 11/20 0.45
ALDH1A1 P00352 2/20 0.41
LMNA P02545 2/20 0.41
KDM4E B2RXH2 1/20 0.41
TP53 P04637 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
HSD17B10 Q99714 1/20 0.41
MEN1 O00255 2/20 0.36
RAB9A P51151 2/20 0.36
KMT2A Q03164 2/20 0.36
NPC1 O15118 1/20 0.36
HIF1A Q16665 1/20 0.34
RXFP1 Q9HBX9 1/20 0.33
HSD11B1 P28845 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
SCHEMBL8910605 0.82 SIGMAR1 (0.60) SIGMAR1HIF1AHSD11B1
SCHEMBL8908767 0.78 SIGMAR1 (0.46) SIGMAR1HIF1AHSD11B1
SCHEMBL8909799 0.77 SIGMAR1 (0.43) SIGMAR1HIF1A
SCHEMBL8105933 0.76 SIGMAR1 (0.56) SIGMAR1ALDH1A1KDM4EHSD17B10HIF1A
SCHEMBL8105937 0.76 SIGMAR1 (0.56) SIGMAR1ALDH1A1KDM4EHSD17B10HIF1A
SCHEMBL8908632 0.76 SIGMAR1 (0.56) SIGMAR1ALDH1A1KDM4EHSD17B10HIF1A
SCHEMBL8909904 0.73 SIGMAR1 (0.68) SIGMAR1HIF1A
SCHEMBL8910607 0.73 BPTF (0.49) SIGMAR1ALDH1A1HIF1AHSD11B1
SCHEMBL8909808 0.73 SIGMAR1 (0.53) SIGMAR1HIF1AHSD11B1
SCHEMBL8910246 0.72 SIGMAR1 (0.43) 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