SCHEMBL16458403

SCHEMBL16458403

CC1(C)C[C@]12C(=O)N(c1cccc(C(=O)O)c1N1CCOC1=O)c1ccccc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKAG1 P54619 1/20 0.40
PRKAA1 Q13131 1/20 0.40
PRKAB1 Q9Y478 1/20 0.40
GAA P10253 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
MAPT P10636 2/20 0.33
CNR1 P21554 1/20 0.33
CNR2 P34972 1/20 0.33
ALDH1A1 P00352 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
CMA1 P23946 8/20 0.33
CBX7 O95931 1/20 0.32
CDY1; CDY1B Q9Y6F8 1/20 0.32
NOTUM Q6P988 1/20 0.32
FAAH O00519 1/20 0.31
NAAA Q02083 1/20 0.31
PTPN1 P18031 1/20 0.31
POLB P06746 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
SCHEMBL1966197 0.83 PRKAG1 (0.45) PRKAG1PRKAA1PRKAB1CMA1EGLN1
SCHEMBL16457730 0.79 PRKAG1 (0.62) PRKAG1PRKAA1PRKAB1GAAMEN1
SCHEMBL1965288 0.73 PRKAG1 (0.51) PRKAG1PRKAA1PRKAB1GAAL3MBTL1
SCHEMBL1975246 0.73 PRKAG1 (0.51) PRKAG1PRKAA1PRKAB1GAAL3MBTL1
SCHEMBL1968170 0.71 CMA1 (0.37) PRKAG1PRKAA1PRKAB1CMA1
SCHEMBL31518544 0.71 L3MBTL1 (0.49) GAAL3MBTL1ALDH1A1TDP1CMA1
SCHEMBL13270283 0.70 PRKAG1 (0.42) PRKAG1PRKAA1PRKAB1GAAALDH1A1
SCHEMBL1982462 0.70 PRKAG1 (0.42) PRKAG1PRKAA1PRKAB1GAAALDH1A1
SCHEMBL28686162 0.69 CMA1 (0.46) PRKAG1PRKAA1PRKAB1CMA1NOTUM
SCHEMBL1974678 0.68 PRKAG1 (0.65) PRKAG1PRKAA1PRKAB1MAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2509946-B1 SPIRO INDOLE-CYCLOPROPANE INDOLINONES USEFUL AS AMPK MODULATORS HOFFMANN LA ROCHE (CH) 2014-04-16 EP claimed