SCHEMBL10079896

SCHEMBL10079896

Bc1c(CN(C)C(=O)OC(C)(C)C)nn(CC2CCCCC2)c1OCc1cc(F)ccc1F

nearest known ligand 0.85

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 20/20 0.85
SLC6A4 P31645 20/20 0.85
HTR2A P28223 11/20 0.72

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
SCHEMBL10080920 0.92 HTR2C (1.00) HTR2CSLC6A4HTR2A
SCHEMBL10079895 0.91 HTR2C (0.87) HTR2CSLC6A4HTR2A
SCHEMBL14924210 0.91 HTR2C (0.85) HTR2CSLC6A4HTR2A
SCHEMBL14924211 0.91 HTR2C (0.85) HTR2CSLC6A4HTR2A
SCHEMBL10079893 0.85 HTR2C (0.98) HTR2CSLC6A4HTR2A
SCHEMBL10080846 0.84 HTR2C (1.00) HTR2CSLC6A4HTR2A
SCHEMBL10079934 0.79 HTR2C (0.82) HTR2CSLC6A4HTR2A
SCHEMBL10079930 0.77 HTR2C (0.52) HTR2CSLC6A4HTR2A
SCHEMBL10080919 0.72 HTR2C (1.00) HTR2CSLC6A4HTR2A
SCHEMBL10079910 0.71 HTR2C (0.84) HTR2CSLC6A4HTR2A

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
WO-2012008528-A1 PYRAZOLE COMPOUND 大日本住友製薬株式会社 (JP) 2012-01-19 WO disclosed