SCHEMBL27728290

SCHEMBL27728290

NCCC1Cc2cc(Cl)cc(-c3ccccc3F)c2O1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AQP1 P29972 3/20 0.48
PRKAB2 O43741 2/20 0.43
PRKAG1 P54619 2/20 0.43
PRKAA2 P54646 2/20 0.43
PRKAA1 Q13131 2/20 0.43
PRKAG3 Q9UGI9 2/20 0.43
PRKAG2 Q9UGJ0 2/20 0.43
PRKAB1 Q9Y478 2/20 0.43
SSTR2 P30874 1/20 0.40
SSTR4 P31391 1/20 0.40
HTR2A P28223 1/20 0.40
HTR2C P28335 1/20 0.40
SIRT2 Q8IXJ6 7/20 0.39
EZH2 Q15910 1/20 0.36
PIM1 P11309 1/20 0.32
PIM2 Q9P1W9 1/20 0.32
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32
SLC6A3 Q01959 1/20 0.32

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
SCHEMBL4229016 0.91 AQP1 (0.58) AQP1PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL4221743 0.90 AQP1 (0.46) AQP1PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL4232180 0.88 AQP1 (0.54) AQP1PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL4219205 0.87 AQP1 (0.53) AQP1PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL4225483 0.86 AQP1 (0.53) AQP1PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL4226535 0.85 PRKAB2 (0.43) AQP1PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL4226256 0.84 PRKAB2 (0.45) AQP1PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL4230140 0.84 AQP1 (0.45) AQP1PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL27728293 0.83 PRKAB2 (0.45) AQP1PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL4230508 0.83 AQP1 (0.61) AQP1PRKAB2PRKAG1PRKAA2PRKAA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101203216-A Dihydrobenzofuran derivatives and uses thereof WYETH CORP (US) 2008-06-18 CN claimed
CN-101203216-A Dihydrobenzofuran derivatives and uses thereof WYETH CORP (US) 2008-06-18 CN disclosed