SCHEMBL4724070

SCHEMBL4724070

Cn1ncc(Br)c1-c1cc(N)cnc1OCCN1CCOCC1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 9/20 0.51
HTR2C P28335 8/20 0.51
PRKAB2 O43741 1/20 0.41
PRKAG1 P54619 1/20 0.41
PRKAA2 P54646 1/20 0.41
PRKAA1 Q13131 1/20 0.41
PRKAG3 Q9UGI9 1/20 0.41
PRKAG2 Q9UGJ0 1/20 0.41
PRKAB1 Q9Y478 1/20 0.41
POLB P06746 2/20 0.37
SYK P43405 1/20 0.37
MAPT P10636 1/20 0.37
SIGMAR1 Q99720 1/20 0.37

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
SCHEMBL1166761 0.84 HTR2A (0.64) HTR2AHTR2CPRKAB2PRKAG1PRKAA2
SCHEMBL4768514 0.83 HTR2A (0.49) HTR2AHTR2CPRKAB2PRKAG1PRKAA2
SCHEMBL1166025 0.81 HTR2A (0.60) HTR2AHTR2CPRKAB2PRKAG1PRKAA2
SCHEMBL4724119 0.81 HTR2A (0.48) HTR2AHTR2CPRKAB2PRKAG1PRKAA2
SCHEMBL4659261 0.76 HTR2A (0.40) HTR2AHTR2C
SCHEMBL4724168 0.75 HTR2A (0.61) HTR2AHTR2CMAPT
SCHEMBL22936210 0.74 ALDH1A1 (0.52) MAPTSIGMAR1
SCHEMBL4696722 0.74 HTR2A (0.66) HTR2AHTR2CPOLBMAPT
SCHEMBL1165844 0.74 HTR2A (0.63) HTR2AHTR2C
SCHEMBL1166100 0.73 HTR2A (0.62) HTR2AHTR2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2004627-A2 3-PYRIDINYL-PYRAZOLE DERIVATIVES AS MODULATORS OF THE 5-HT2A SEROTONIN RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO Arena Pharmaceuticals, Inc. (US) 2008-12-24 EP disclosed
WO-2007120600-A2 3-PYRIDINYL-PYRAZOLE DERIVATIVES AS MODULATORS OF THE 5-HT2A SEROTONIN RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO ARENA PHARMACEUTICALS, INC. (US) 2007-10-25 WO disclosed
WO-2007120600-A2 3-PYRIDINYL-PYRAZOLE DERIVATIVES AS MODULATORS OF THE 5-HT2A SEROTONIN RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO ARENA PHARMACEUTICALS, INC. (US) 2007-10-25 WO disclosed