SCHEMBL4750356

SCHEMBL4750356

CC1CCCC(C)N1CCOc1ccc(NC(=O)Nc2ccc(F)cc2F)cc1-c1ccnn1C

nearest known ligand 0.76

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 20/20 0.76
HTR2C P28335 18/20 0.76
KCNH2 Q12809 1/20 0.56

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
SCHEMBL1165859 1.00 HTR2A (0.76) HTR2AHTR2CKCNH2
SCHEMBL1165872 0.92 HTR2A (0.84) HTR2AHTR2C
SCHEMBL1165512 0.91 HTR2A (0.77) HTR2AHTR2CKCNH2
SCHEMBL1165470 0.88 HTR2A (0.84) HTR2AHTR2CKCNH2
SCHEMBL1165457 0.87 HTR2A (0.95) HTR2AHTR2CKCNH2
SCHEMBL1165332 0.87 HTR2A (0.98) HTR2AHTR2C
SCHEMBL1166133 0.86 HTR2A (1.00) HTR2AHTR2C
SCHEMBL1165571 0.86 HTR2A (0.82) HTR2AHTR2CKCNH2
SCHEMBL1165781 0.86 HTR2A (0.79) HTR2AHTR2CKCNH2
SCHEMBL1166005 0.86 HTR2A (0.81) HTR2AHTR2CKCNH2

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-1833799-B1 3-PHENYL-PYRAZOLE DERIVATIVES AS MODULATORS OF THE 5-HT-2a SEROTONIN RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO ARENA PHARM INC (US) 2008-09-10 EP disclosed