SCHEMBL4784178

SCHEMBL4784178

Cn1nc(C(=O)N2CCN(CCc3ccc(F)cc3F)CC2)c2ccc(Br)cc21

nearest known ligand 0.66

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 20/20 0.66
HTR2C P28335 19/20 0.66
KCNH2 Q12809 1/20 0.49

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
SCHEMBL4783828 0.87 HTR2A (0.62) HTR2AHTR2CKCNH2
SCHEMBL4784635 0.87 HTR2A (0.67) HTR2AHTR2CKCNH2
SCHEMBL4854500 0.86 HTR2A (0.58) HTR2AHTR2CKCNH2
SCHEMBL4780094 0.81 HTR2A (0.67) HTR2AHTR2CKCNH2
SCHEMBL3134226 0.79 HTR2A (1.00) HTR2AHTR2CKCNH2
SCHEMBL29572946 0.79 HTR2A (1.00) HTR2AHTR2CKCNH2
SCHEMBL14205791 0.77 HTR2A (0.48) HTR2AHTR2CKCNH2
SCHEMBL4782835 0.77 HTR2A (0.64) HTR2AHTR2C
SCHEMBL14205780 0.76 HTR2A (0.55) HTR2AHTR2CKCNH2
SCHEMBL3144161 0.75 HTR2A (0.78) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008054748-A2 INDAZOLE DERIVATIVES AS MODULATORS OF THE 5-HT2A SEROTONIN RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO ARENA PHARMACEUTICALS, INC. (US) 2008-05-08 WO disclosed
WO-2008054748-A2 INDAZOLE DERIVATIVES AS MODULATORS OF THE 5-HT2A SEROTONIN RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO ARENA PHARMACEUTICALS, INC. (US) 2008-05-08 WO disclosed