SCHEMBL8908596

SCHEMBL8908596

CC1(C)[C@H]2CC[C@]1(C)CN(CCC1C3CC4CC1CC(c1ccccc1)(C4)C3)C2

nearest known ligand 0.64

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 11/20 0.64
HIF1A Q16665 1/20 0.41
DRD2 P14416 1/20 0.39
DRD3 P35462 1/20 0.39
KCNH2 Q12809 1/20 0.39
SLC6A2 P23975 1/20 0.31
SLC6A4 P31645 1/20 0.31
SLC6A3 Q01959 1/20 0.31
CXCR3 P49682 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
SCHEMBL8090385 1.00 SIGMAR1 (0.64) SIGMAR1HIF1ADRD2DRD3KCNH2
SCHEMBL8908876 1.00 SIGMAR1 (0.64) SIGMAR1HIF1ADRD2DRD3KCNH2
SCHEMBL8908820 1.00 SIGMAR1 (0.64) SIGMAR1HIF1ADRD2DRD3KCNH2
SCHEMBL8099281 1.00 SIGMAR1 (0.64) SIGMAR1HIF1ADRD2DRD3KCNH2
SCHEMBL8908667 0.81 SIGMAR1 (0.40) SIGMAR1DRD2DRD3KCNH2
SCHEMBL8908831 0.79 SIGMAR1 (0.73) SIGMAR1HIF1ADRD2DRD3KCNH2
SCHEMBL8099379 0.79 SIGMAR1 (0.73) SIGMAR1HIF1ADRD2DRD3KCNH2
SCHEMBL8098407 0.79 SIGMAR1 (0.73) SIGMAR1HIF1ADRD2DRD3KCNH2
SCHEMBL8908605 0.79 SIGMAR1 (0.73) SIGMAR1HIF1ADRD2DRD3KCNH2
SCHEMBL8908789 0.79 SIGMAR1 (0.73) SIGMAR1HIF1ADRD2DRD3KCNH2

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 2 patents. 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 claimed
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