SCHEMBL8909815

SCHEMBL8909815

CC1(C)C2CC[C@]1(C)CN(C(=O)CC13CCC(CC1)C3)C2

nearest known ligand 0.40

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 11/20 0.40
HIF1A Q16665 1/20 0.36
BPTF Q12830 1/20 0.36
HSD11B1 P28845 1/20 0.35
TSHR P16473 1/20 0.32
EPHX1 P07099 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
SCHEMBL8910607 0.90 BPTF (0.49) SIGMAR1HIF1ABPTFHSD11B1TSHR
SCHEMBL8910246 0.80 SIGMAR1 (0.43) SIGMAR1HIF1ABPTFHSD11B1TSHR
SCHEMBL5499445 0.74 SIGMAR1 (0.47) SIGMAR1HIF1A
SCHEMBL8105933 0.73 SIGMAR1 (0.56) SIGMAR1HIF1A
SCHEMBL8105937 0.73 SIGMAR1 (0.56) SIGMAR1HIF1A
SCHEMBL8908632 0.73 SIGMAR1 (0.56) SIGMAR1HIF1A
SCHEMBL8910605 0.73 SIGMAR1 (0.60) SIGMAR1HIF1AHSD11B1
SCHEMBL8909799 0.72 SIGMAR1 (0.43) SIGMAR1HIF1A
SCHEMBL8105781 0.71 SIGMAR1 (0.56) SIGMAR1HIF1A
SCHEMBL8099508 0.71 SIGMAR1 (0.58) SIGMAR1HSD11B1

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