SCHEMBL4760460

SCHEMBL4760460

NCC1Cc2cccc(-c3ccc(Cl)c(Cl)c3Cl)c2O1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PRKAB2 O43741 2/20 0.51
PRKAG1 P54619 2/20 0.51
PRKAA2 P54646 2/20 0.51
PRKAA1 Q13131 2/20 0.51
PRKAG3 Q9UGI9 2/20 0.51
PRKAG2 Q9UGJ0 2/20 0.51
PRKAB1 Q9Y478 2/20 0.51
AQP1 P29972 3/20 0.48
HTR2A P28223 4/20 0.35
HTR2C P28335 3/20 0.35
HTR2B P41595 3/20 0.35
AHR P35869 1/20 0.32
PNMT P11086 1/20 0.30
PTPN11 Q06124 1/20 0.30

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
SCHEMBL4607050 0.92 PRKAB2 (0.53) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL5794284 0.85 PRKAB2 (0.54) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL5794592 0.85 PRKAB2 (0.54) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL4219184 0.85 PRKAB2 (0.54) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL4226179 0.83 AQP1 (0.70) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL5795152 0.83 AQP1 (0.56) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL4226043 0.83 AQP1 (0.56) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL12579303 0.82 PRKAB2 (0.54) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL4219827 0.82 PRKAB2 (0.54) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL4229544 0.80 AQP1 (0.55) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3

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-1874292-A2 METHODS FOR MODULATING BLADDER FUNCTION Wyeth (US) 2008-01-09 EP claimed
EP-1871355-A1 NEW THERAPEUTIC COMBIANATIONS FOR THE TREATMENT OR PREVENTION OF DEPRESSION Wyeth (US) 2008-01-02 EP claimed
WO-2006116149-A1 NEW THERAPEUTIC COMBIANATIONS FOR THE TREATMENT OR PREVENTION OF DEPRESSION WYETH (US) 2006-11-02 WO claimed
WO-2006116169-A2 METHODS FOR MODULATING BLADDER FUNCTION WYETH (US) 2006-11-02 WO claimed