SCHEMBL6573342

SCHEMBL6573342

O=C1CC2CCC(C1)N2CC(F)F

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.42
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
CHRM1 P11229 1/20 0.31
SLC6A2 P23975 1/20 0.31
SLC6A4 P31645 1/20 0.31
SLC6A3 Q01959 1/20 0.30
KCNH2 Q12809 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
SCHEMBL21563118 0.73 CHRM1 (0.36) CHRM1SLC6A2SLC6A4
SCHEMBL6617342 0.72 MAPK1 (0.59) MAPK1MEN1KMT2A
SCHEMBL4351591 0.71 MAPK1 (0.41) MAPK1MEN1KMT2A
SCHEMBL5071115 0.71 MAPK1 (0.46) MAPK1MEN1KMT2A
SCHEMBL5965398 0.71 AR (0.38) MAPK1MEN1KMT2A
SCHEMBL22525171 0.70 LMNA (0.56) CHRM1SLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL17752569 0.70 LMNA (0.34) CHRM1SLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL22839050 0.70 LMNA (0.34) CHRM1SLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL6153609 0.68 DRD2 (0.50) SLC6A2
SCHEMBL28641227 0.68 MAPK1 (0.43) MAPK1MEN1KMT2A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1051417-B1 PROCESS FOR THE PREPARATION OF 8-AZABICYCLO(3.2.1)OCTANE DERIVATIVES SYNGENTA LTD (GB) 2004-11-03 EP disclosed
US-6323343-B1 REACING 8-(HALOUOROETHYL)-8-AZABICYCLO(3.2.1)OCTAN-3-ONE WITH ALKALI METAL CYANIDE IN PRESENCE OF ACID AND BASE, 3-CYANO-3-HYDROXY-8-(2,2,2-TRIFLUOROETHYL)-8-AZABICYCLO(3.2.1) OCTANE SYNGENTA LIMITED (GB) 2001-11-27 US disclosed
EP-1051417-A1 PROCESS FOR THE PREPARATION OF 8-AZABICYCLO(3.2.1)OCTANE DERIVATIVES ZENECA LIMITED (GB) 2000-11-15 EP disclosed
WO-1999029690-A1 PROCESS FOR THE PREPARATION OF 8-AZABICYCLO(3.2.1)OCTANE DERIVATIVES ZENECA LIMITED (GB) 1999-06-17 WO disclosed