SCHEMBL8909799

SCHEMBL8909799

CC1(C)C2CC[C@]1(C)CN(C(=O)CC1C3CCCC1CCC3)C2

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 11/20 0.43
HIF1A Q16665 1/20 0.37
APOBEC3A P31941 1/20 0.31
CTDSP1 Q9GZU7 1/20 0.31
APOBEC3G Q9HC16 1/20 0.31
OPRM1 P35372 1/20 0.30
OPRL1 P41146 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
SCHEMBL8910605 0.87 SIGMAR1 (0.60) SIGMAR1HIF1A
SCHEMBL8105933 0.82 SIGMAR1 (0.56) SIGMAR1HIF1AOPRM1OPRL1
SCHEMBL8105937 0.82 SIGMAR1 (0.56) SIGMAR1HIF1AOPRM1OPRL1
SCHEMBL8908632 0.82 SIGMAR1 (0.56) SIGMAR1HIF1AOPRM1OPRL1
SCHEMBL8908767 0.82 SIGMAR1 (0.46) SIGMAR1HIF1A
SCHEMBL8909813 0.77 SIGMAR1 (0.45) SIGMAR1HIF1A
SCHEMBL8908667 0.75 SIGMAR1 (0.40) SIGMAR1OPRM1OPRL1
SCHEMBL8099508 0.75 SIGMAR1 (0.58) SIGMAR1
SCHEMBL5499445 0.75 SIGMAR1 (0.47) SIGMAR1HIF1AAPOBEC3ACTDSP1APOBEC3G
SCHEMBL8103954 0.73 SIGMAR1 (0.75) SIGMAR1HIF1A

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