SCHEMBL11079183

SCHEMBL11079183

CC[C@H]1CNCC[C@H]1CC(=O)OC

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A1 P30531 2/20 0.37
GABRA5 P31644 2/20 0.37
GABRB2 P47870 2/20 0.37
SLC6A12 P48065 2/20 0.37
SLC6A11 P48066 2/20 0.37
SLC6A13 Q9NSD5 2/20 0.37
GABRA1 P14867 1/20 0.37
GABRR1 P24046 1/20 0.37
GABRA4 P48169 1/20 0.37
CHRM1 P11229 1/20 0.35
CHRM3 P20309 1/20 0.35
KCNH2 Q12809 1/20 0.34
CHRNB2 P17787 2/20 0.33
CHRNA4 P43681 2/20 0.33
CHRNB4 P30926 1/20 0.33
CHRNA3 P32297 1/20 0.33
CHRNA7 P36544 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.32
BRD4 O60885 1/20 0.31
MAPT P10636 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
SCHEMBL11713269 1.00 SLC6A1 (0.37) SLC6A1GABRA5GABRB2SLC6A12SLC6A11
SCHEMBL11079186 1.00 SLC6A1 (0.37) SLC6A1GABRA5GABRB2SLC6A12SLC6A11
SCHEMBL11713259 1.00 SLC6A1 (0.37) SLC6A1GABRA5GABRB2SLC6A12SLC6A11
SCHEMBL11051159 0.85 MAPT (0.38) SLC6A1GABRA5GABRB2SLC6A12SLC6A11
SCHEMBL11713802 0.85 MAPT (0.38) SLC6A1GABRA5GABRB2SLC6A12SLC6A11
SCHEMBL11051158 0.85 MAPT (0.38) SLC6A1GABRA5GABRB2SLC6A12SLC6A11
SCHEMBL11051156 0.85 MAPT (0.38) SLC6A1GABRA5GABRB2SLC6A12SLC6A11
SCHEMBL11713819 0.85 MAPT (0.38) SLC6A1GABRA5GABRB2SLC6A12SLC6A11
SCHEMBL18307342 0.81 SLC6A1 (0.38) SLC6A1GABRA5GABRB2SLC6A12SLC6A11
SCHEMBL11050032 0.81 SLC6A11 (0.53) SLC6A1GABRA5GABRB2SLC6A12SLC6A11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4472403-A Quinoline derivatives and pharmaceutical compositions and methods for treating cardiovascular disease with such compounds A.C.F. CHEMIEFARMA N.V. (NL) 1984-09-18 US disclosed
EP-0030044-A1 Quinoline derivatives, processes for their preparation, their use, pharmaceutical compositions containing them and a method for the preparation of these pharmaceutical compositions ACF CHEMIEFARMA NV (NL) 1981-06-10 EP disclosed
US-4012396-A Processes and intermediates for cis or trans 2-or 3-(1-acyl-3-vinyl-4-piperidine)acetic or propionic acid esters HOFFMANN-LA ROCHE INC. (US) 1977-03-15 US disclosed
US-3959294-A Processes and intermediates for cis or trans 2- or 3-(1-acyl-3-vinyl-4-piperidine)acetic or propionic acid esters HOFFMANN-LA ROCHE INC. (US) 1976-05-25 US disclosed
US-3957800-A PROCESSES AND INTERMEDIATES FOR CIS OR TRANS 2- OR 3-(1-ACYL-3-VINYL-4-PIPERIDINE)ACETIC OR PROPIONIC ACID ESTERS HOFFMANN-LA ROCHE INC. (US) 1976-05-18 US disclosed