SCHEMBL8103579

SCHEMBL8103579

COC12CC3CC(C1)C(CCN1CC4CC[C@](C)(C1)C4(C)C)C(C3)C2

nearest known ligand 0.70

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 11/20 0.70
HIF1A Q16665 1/20 0.45
DRD2 P14416 1/20 0.34
DRD3 P35462 1/20 0.34
KCNH2 Q12809 1/20 0.34

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
SCHEMBL8908980 1.00 SIGMAR1 (0.70) SIGMAR1HIF1ADRD2DRD3KCNH2
SCHEMBL8909817 1.00 SIGMAR1 (0.70) SIGMAR1HIF1ADRD2DRD3KCNH2
SCHEMBL8908862 1.00 SIGMAR1 (0.70) SIGMAR1HIF1ADRD2DRD3KCNH2
SCHEMBL8909520 1.00 SIGMAR1 (0.70) SIGMAR1HIF1ADRD2DRD3KCNH2
SCHEMBL8097564 1.00 SIGMAR1 (0.70) SIGMAR1HIF1ADRD2DRD3KCNH2
SCHEMBL8908831 0.84 SIGMAR1 (0.73) SIGMAR1HIF1ADRD2DRD3KCNH2
SCHEMBL8099379 0.84 SIGMAR1 (0.73) SIGMAR1HIF1ADRD2DRD3KCNH2
SCHEMBL8908789 0.84 SIGMAR1 (0.73) SIGMAR1HIF1ADRD2DRD3KCNH2
SCHEMBL8908605 0.84 SIGMAR1 (0.73) SIGMAR1HIF1ADRD2DRD3KCNH2
SCHEMBL8098407 0.84 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0661271-B1 AZEPINE DERIVATIVES, PRODUCTION THEREOF, AND USE THEREOF AS SIGMA-RECEPTOR LIGANDS ASAHI CHEMICAL IND (JP) 2000-04-26 EP 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 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