SCHEMBL8089835

SCHEMBL8089835

CC12CCC(CN(CC34CC5CC(CC(C5)C3)C4)C1)C2(C)C

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 11/20 0.57
HIF1A Q16665 1/20 0.50
KDM4E B2RXH2 1/20 0.38
DRD2 P14416 1/20 0.35
DRD3 P35462 1/20 0.35
KCNH2 Q12809 1/20 0.35
APOBEC3A P31941 1/20 0.30
CTDSP1 Q9GZU7 1/20 0.30
APOBEC3G Q9HC16 1/20 0.30
CYP11B1 P15538 1/20 0.30
CYP11B2 P19099 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
SCHEMBL8089836 1.00 SIGMAR1 (0.57) SIGMAR1HIF1AKDM4EDRD2DRD3
SCHEMBL8104936 0.85 SIGMAR1 (0.54) SIGMAR1HIF1AKDM4EDRD2DRD3
SCHEMBL8103079 0.85 SIGMAR1 (0.61) SIGMAR1HIF1ADRD2DRD3KCNH2
SCHEMBL8103083 0.85 SIGMAR1 (0.61) SIGMAR1HIF1ADRD2DRD3KCNH2
SCHEMBL8089848 0.85 SIGMAR1 (0.61) SIGMAR1HIF1ADRD2DRD3KCNH2
SCHEMBL8089588 0.85 SIGMAR1 (0.54) SIGMAR1HIF1AKDM4EDRD2DRD3
SCHEMBL8103198 0.77 SIGMAR1 (0.59) SIGMAR1HIF1AKDM4EDRD2DRD3
SCHEMBL8089739 0.77 SIGMAR1 (0.55) SIGMAR1HIF1ADRD2DRD3KCNH2
SCHEMBL8099338 0.77 SIGMAR1 (0.55) SIGMAR1HIF1ADRD2DRD3KCNH2
SCHEMBL8105781 0.77 SIGMAR1 (0.56) 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
EP-0661271-B1 AZEPINE DERIVATIVES, PRODUCTION THEREOF, AND USE THEREOF AS SIGMA-RECEPTOR LIGANDS ASAHI CHEMICAL IND (JP) 2000-04-26 EP disclosed
EP-0661271-A1 AZEPINE DERIVATIVE, PRODUCTION THEREOF, AND USE THEREOF Asahi Kasei Kogyo Kabushiki Kaisha (JP) 1995-07-05 EP disclosed