SCHEMBL4768274

SCHEMBL4768274

NCCC1Cc2cc(F)cc(-c3cccc(Cl)c3Cl)c2O1

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
AQP1 P29972 3/20 0.57
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
PTPN11 Q06124 2/20 0.32
SSTR2 P30874 1/20 0.32
SSTR4 P31391 1/20 0.32
P2RX7 Q99572 1/20 0.32
HTR2A P28223 2/20 0.32
HTR2C P28335 2/20 0.32
HTR2B P41595 2/20 0.32
SLC6A4 P31645 1/20 0.32
EZH2 Q15910 1/20 0.30
TAAR1 Q96RJ0 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
SCHEMBL4219883 0.91 AQP1 (0.69) AQP1PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL4230245 0.91 AQP1 (0.62) AQP1PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL4230140 0.88 AQP1 (0.45) AQP1PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL5203385 0.88 AQP1 (0.69) AQP1PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL4225768 0.88 AQP1 (0.69) AQP1PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL4768198 0.86 AQP1 (0.42) AQP1PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL5185008 0.86 AQP1 (0.57) AQP1PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL4219205 0.84 AQP1 (0.53) AQP1PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL4234537 0.83 PRKAB2 (0.41) AQP1PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL4232185 0.82 AQP1 (0.67) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-1871356-A1 DIHYDROBENZOFURAN DERIVATIVES AND USES THEREOF Wyeth a Corporation of the State of Delaware (US) 2008-01-02 EP disclosed
WO-2006116170-A1 DIHYDROBENZOFURAN DERIVATIVES AND USES THEREOF WYETH (US) 2006-11-02 WO disclosed