SCHEMBL8599635

SCHEMBL8599635

CC1(C)CC(C(=O)Cl)C(C)(C)N1[O]

nearest known ligand 0.32

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.32
CHRNA3 P32297 1/20 0.32
CHRNA4 P43681 1/20 0.32
CHRNB3 Q05901 1/20 0.32
CHRNA6 Q15825 1/20 0.32
GAA P10253 2/20 0.30
L3MBTL1 Q9Y468 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
SCHEMBL9754770 0.81 GAA (0.31) GAAL3MBTL1
SCHEMBL475361 0.81 APLNR (0.38) GAAL3MBTL1
SCHEMBL8599636 0.79 GAA (0.48) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL51127 0.79 KMT2A (0.31) GAAL3MBTL1
SCHEMBL5491826 0.78 APLNR (0.35)
SCHEMBL932260 0.76 ADAM17 (0.30)
SCHEMBL1433982 0.76 ATM (0.33) GAAL3MBTL1
SCHEMBL3057229 0.76 SLC18A2 (0.30)
SCHEMBL8676534 0.73 GAA (0.31) GAAL3MBTL1
SCHEMBL7936712 0.72 MAPT (0.37)

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-0822835-A1 HYBRID MAGNETIC RESONANCE CONTRAST AGENTS IMARX PHARMACEUTICAL CORP. (US) 1998-02-11 EP claimed
WO-1996032967-A1 HYBRID MAGNETIC RESONANCE CONTRAST AGENTS IMARX PHARMACEUTICAL CORPORATION (US) 1996-10-24 WO claimed
US-5407657-A Containing a metal chelate and a free radical nitroxide IMARX THERAPEUTICS, INC. 1995-04-18 US claimed
US-5407657-A Containing a metal chelate and a free radical nitroxide IMARX THERAPEUTICS, INC. 1995-04-18 US disclosed