SCHEMBL8105645

SCHEMBL8105645

CC12CCC(CN(CCC3CCCC3)C1)C2(C)C

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 11/20 1.00
HIF1A Q16665 1/20 0.58
KCNH2 Q12809 2/20 0.41
DRD2 P14416 1/20 0.41
DRD3 P35462 1/20 0.41
CTDSP1 Q9GZU7 2/20 0.31
APOBEC3A P31941 1/20 0.31
APOBEC3G Q9HC16 1/20 0.31
SCN1A P35498 1/20 0.31
SCN4A P35499 1/20 0.31
SCN7A Q01118 1/20 0.31
SCN5A Q14524 1/20 0.31
SCN9A Q15858 1/20 0.31
SCN2A Q99250 1/20 0.31
SCN3A Q9NY46 1/20 0.31
SCN11A Q9UI33 1/20 0.31
SCN8A Q9UQD0 1/20 0.31
SCN10A Q9Y5Y9 1/20 0.31
KDM4E B2RXH2 1/20 0.30
LMNA P02545 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
SCHEMBL8099051 1.00 SIGMAR1 (1.00) SIGMAR1HIF1AKCNH2DRD2DRD3
SCHEMBL8103611 0.98 SIGMAR1 (1.00) SIGMAR1HIF1AKCNH2DRD2DRD3
SCHEMBL8096984 0.98 SIGMAR1 (1.00) SIGMAR1HIF1AKCNH2DRD2DRD3
SCHEMBL8098963 0.98 SIGMAR1 (1.00) SIGMAR1HIF1AKCNH2DRD2DRD3
SCHEMBL8098741 0.98 SIGMAR1 (1.00) SIGMAR1HIF1AKCNH2DRD2DRD3
SCHEMBL8099454 0.98 SIGMAR1 (1.00) SIGMAR1HIF1AKCNH2DRD2DRD3
SCHEMBL8105601 0.98 SIGMAR1 (1.00) SIGMAR1HIF1AKCNH2DRD2DRD3
SCHEMBL8099211 0.98 SIGMAR1 (1.00) SIGMAR1HIF1AKCNH2DRD2DRD3
SCHEMBL8103243 0.90 SIGMAR1 (1.00) SIGMAR1HIF1AKCNH2DRD2DRD3
SCHEMBL8102940 0.90 SIGMAR1 (1.00) SIGMAR1HIF1AKCNH2DRD2DRD3

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