SCHEMBL4774096

SCHEMBL4774096

O=S(=O)(Oc1ccccc1-c1c(Cl)ccc2c1CCCCN2)C(F)(F)F

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 11/20 0.34
NOTUM Q6P988 1/20 0.32
HTR6 P50406 1/20 0.32
DRD3 P35462 8/20 0.32
DRD4 P21917 6/20 0.32
DRD1 P21728 5/20 0.32
DRD5 P21918 5/20 0.32
CHRM1 P11229 1/20 0.31
HTR1D P28221 2/20 0.31
BCHE P06276 1/20 0.31
RORC P51449 1/20 0.31
HTR5A P47898 1/20 0.31

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
SCHEMBL3961007 0.78 HTR2C (0.41) DRD2HTR6DRD3HTR1D
Hydrochloric Acid SCHEMBL3963008 0.77 HTR2C (0.40) DRD2HTR6DRD3HTR1D
SCHEMBL3963797 0.69 DRD2 (0.42) DRD2DRD3HTR1D
SCHEMBL7023211 0.69 DRD2 (0.42) DRD2DRD3DRD4DRD1DRD5
SCHEMBL16926997 0.67 DRD2 (0.41) DRD2DRD3DRD4DRD1DRD5
SCHEMBL18015659 0.67 DRD2 (0.43) DRD2DRD3DRD4DRD1DRD5
SCHEMBL5599422 0.66 PTGS2 (0.43) DRD2DRD3DRD4DRD1DRD5
SCHEMBL31265222 0.66 PTGS2 (0.43) DRD2DRD3DRD4DRD1DRD5
SCHEMBL17733199 0.65 PTGS2 (0.45) DRD2DRD3DRD4DRD1DRD5
SCHEMBL367003 0.65 DRD2 (0.42) DRD2DRD3DRD4DRD1DRD5

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
EP-1926712-A1 6-SUBSTITUTED 2,3,4,5-TETRAHYDRO-1H-BENZO[D]AZEPINES AS 5-HT2C RECEPTOR AGONISTS ELI LILLY AND COMPANY (US) 2008-06-04 EP disclosed
WO-2007028131-A1 6-SUBSTITUTED 2,3,4,5-TETRAHYDRO-1H-BENZO[d]AZEPINES AS 5-HT2C RECEPTOR AGONISTS ELI LILLY AND COMPANY (US) 2007-03-08 WO disclosed