SCHEMBL8306851

SCHEMBL8306851

COC(=O)C1=CNCN(C)C1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 4/20 0.53
CHRM2 P08172 3/20 0.53
CHRM4 P08173 3/20 0.53
CHRM5 P08912 3/20 0.53
CHRM1 P11229 3/20 0.53
LMNA P02545 3/20 0.53
THRB P10828 1/20 0.53
BLM P54132 1/20 0.51
MCOLN3 Q8TDD5 1/20 0.51
GRIA1 P42261 1/20 0.33
GRIA2 P42262 1/20 0.33
GRIA3 P42263 1/20 0.33
GRIA4 P48058 1/20 0.33
CYP1A2 P05177 1/20 0.32
CYP2D6 P10635 1/20 0.32
NFKB1 P19838 1/20 0.32
THPO P40225 1/20 0.32
PTPN1 P18031 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31

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
Hydrochloric Acid SCHEMBL8306582 0.98 CHRM3 (0.51) CHRM3CHRM2CHRM4CHRM5CHRM1
SCHEMBL12918271 0.72 CHRM3 (0.68) CHRM3CHRM2CHRM4CHRM5CHRM1
Arecoline SCHEMBL44065 0.69 CHRM2 (1.00) CHRM3CHRM2CHRM4CHRM5CHRM1
Arecoline SCHEMBL3057863 0.68 CHRM2 (0.96) CHRM3CHRM2CHRM4CHRM5CHRM1
Arecoline SCHEMBL527735 0.68 BLM (1.00) CHRM3CHRM2CHRM4CHRM5CHRM1
SCHEMBL27647692 0.67 CHRM3 (0.44) CHRM3CHRM2CHRM4CHRM5CHRM1
SCHEMBL6960679 0.67 CHRM3 (0.53) CHRM3CHRM2CHRM4CHRM5CHRM1
Hydrochloric Acid SCHEMBL7082979 0.66 CHRM3 (0.51) CHRM3CHRM2CHRM4CHRM5CHRM1
SCHEMBL5906945 0.65 PTPN1 (0.50) CHRM3CHRM2CHRM4CHRM5CHRM1
Arecoline SCHEMBL28717437 0.65 CHRM2 (0.87) CHRM3CHRM2CHRM4CHRM5CHRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0630244-B1 MUSCARINIC AGONISTS UNIV TOLEDO (US) 1999-12-01 EP claimed
EP-0630244-A1 MUSCARINIC AGONISTS THE UNIVERSITY OF TOLEDO (US) 1994-12-28 EP claimed
EP-0630244-A4 MUSCARINIC AGONISTS. UNIV TOLEDO (US) 1994-04-07 EP claimed
WO-1993003726-A1 MUSCARINIC AGONISTS THE UNIVERSITY OF TOLEDO (US) 1993-03-04 WO claimed
US-5175166-A Cognition activators THE UNIVERSITY OF TOLEDO (US) 1992-12-29 US claimed
EP-0630244-B1 MUSCARINIC AGONISTS UNIV TOLEDO (US) 1999-12-01 EP disclosed
US-5403845-A Cognition activators; Alzheimer*s disaease UNIVERSITY OF TOLEDO (US) 1995-04-04 US disclosed
EP-0630244-A1 MUSCARINIC AGONISTS THE UNIVERSITY OF TOLEDO (US) 1994-12-28 EP disclosed
EP-0630244-A4 MUSCARINIC AGONISTS. UNIV TOLEDO (US) 1994-04-07 EP disclosed
WO-1993003726-A1 MUSCARINIC AGONISTS THE UNIVERSITY OF TOLEDO (US) 1993-03-04 WO disclosed
US-5175166-A Cognition activators THE UNIVERSITY OF TOLEDO (US) 1992-12-29 US disclosed