SCHEMBL11051159

SCHEMBL11051159

CCOC(=O)CC1CCNC[C@H]1CC

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.38
PKM P14618 1/20 0.38
POLB P06746 1/20 0.37
SLC6A1 P30531 2/20 0.36
GABRA5 P31644 2/20 0.36
GABRB2 P47870 2/20 0.36
SLC6A12 P48065 2/20 0.36
SLC6A11 P48066 2/20 0.36
SLC6A13 Q9NSD5 2/20 0.36
GABRA1 P14867 1/20 0.36
GABRR1 P24046 1/20 0.36
GABRA4 P48169 1/20 0.36
MGAM O43451 1/20 0.35
GAA P10253 1/20 0.35
SI P14410 1/20 0.35
MGAM2 Q2M2H8 1/20 0.35
SLC6A2 P23975 6/20 0.33
SLC6A4 P31645 6/20 0.33
SLC6A3 Q01959 5/20 0.33
CYP2D6 P10635 3/20 0.33

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
SCHEMBL11051158 1.00 MAPT (0.38) MAPTPKMPOLBSLC6A1GABRA5
SCHEMBL11713819 1.00 MAPT (0.38) MAPTPKMPOLBSLC6A1GABRA5
SCHEMBL11051156 1.00 MAPT (0.38) MAPTPKMPOLBSLC6A1GABRA5
SCHEMBL11713802 1.00 MAPT (0.38) MAPTPKMPOLBSLC6A1GABRA5
SCHEMBL23315374 0.94 MAPT (0.41) MAPTPKMPOLBSLC6A1GABRA5
Trifluoroacetic Acid SCHEMBL11712875 0.90 SLC6A2 (0.36) MAPTPKMPOLBSLC6A1GABRA5
Trifluoroacetic Acid SCHEMBL11712865 0.90 SLC6A2 (0.36) MAPTPKMPOLBSLC6A1GABRA5
SCHEMBL11713259 0.85 SLC6A1 (0.37) MAPTPKMSLC6A1GABRA5GABRB2
SCHEMBL11079186 0.85 SLC6A1 (0.37) MAPTPKMSLC6A1GABRA5GABRB2
SCHEMBL11713269 0.85 SLC6A1 (0.37) MAPTPKMSLC6A1GABRA5GABRB2

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-0035820-B1 NOVEL QUINOLINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING SUCH COMPOUNDS, AND METHOD FOR THE PREPARATION OF THESE COMPOUNDS ACF CHEMIEFARMA NV (NL) 1984-10-10 EP disclosed
US-4442107-A HYPOTENSIVE, ANTIARRHYTHMIA ACF CHEMIEFARMA N.V. (NL) 1984-04-10 US disclosed
US-4442106-A HYPOTENSIVE, ANTIARRHYTHMIA ACF CHEMIEFARMA N.V. (NL) 1984-04-10 US disclosed
EP-0035821-A1 Quinoline derivatives, pharmaceutical compositions containing such compounds, and method for the preparation of these compounds ACF Chemiefarma N.V. (NL) 1981-09-16 EP disclosed