SCHEMBL21297622

SCHEMBL21297622

CC1C=C(OS(=O)(=O)C(F)(F)F)CCN1C

nearest known ligand 0.40

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 12/20 0.40
DRD4 P21917 8/20 0.37
DRD3 P35462 8/20 0.37
DRD1 P21728 6/20 0.37
DRD5 P21918 6/20 0.37
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
SCHEMBL21297621 1.00 DRD2 (0.40) DRD2DRD4DRD3DRD1DRD5
SCHEMBL13481209 0.84 DRD2 (0.38) DRD2DRD4DRD3DRD1DRD5
SCHEMBL21326449 0.81 DRD2 (0.33) DRD2DRD4DRD3DRD1DRD5
SCHEMBL25418364 0.81 DRD2 (0.33) DRD2DRD4DRD3DRD1DRD5
SCHEMBL22529697 0.81 DRD2 (0.33) DRD2DRD4DRD3DRD1DRD5
SCHEMBL16041190 0.76 NR1H2 (0.36)
SCHEMBL431871 0.76 NR1H2 (0.36)
SCHEMBL16050778 0.76 NR1H2 (0.36)
SCHEMBL4758581 0.73 GAA (0.42)
SCHEMBL16687101 0.73 DRD2 (0.32) DRD2DRD4DRD3DRD1DRD5

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-2019163865-A1 DIBENZAZEPINE DERIVATIVE HAVING NITROGEN-CONTAINING HETEROCYCLIC RING 大日本住友製薬株式会社 2019-08-29 WO disclosed