SCHEMBL17528481

SCHEMBL17528481

CCCC[C@@H]1CSc2cc(OS(=O)(=O)C(F)(F)F)c(OC)cc2[C@@H](c2ccccc2)N1

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 5/20 0.36
DRD4 P21917 5/20 0.36
DRD3 P35462 5/20 0.36
DRD1 P21728 3/20 0.36
DRD5 P21918 3/20 0.36
SLC10A2 Q12908 10/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
HTR5A P47898 1/20 0.34

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
SCHEMBL20169922 0.81 SLC10A2 (0.49) SLC10A2
SCHEMBL17528460 0.81 SLC10A2 (0.49) SLC10A2
SCHEMBL9980442 0.80 TRPM5 (0.35) SLC10A2MEN1KMT2A
SCHEMBL19179847 0.78 SLC10A2 (0.54) SLC10A2
SCHEMBL20169919 0.73 DRD2 (0.34) DRD2DRD4DRD3DRD1DRD5
SCHEMBL17528453 0.73 DRD2 (0.34) DRD2DRD4DRD3DRD1DRD5
SCHEMBL18748574 0.69 SLC10A2 (0.58) SLC10A2
SCHEMBL19170512 0.69 SLC10A2 (0.58) SLC10A2
SCHEMBL2591682 0.67 SLC10A2 (0.82) SLC10A2
SCHEMBL2591649 0.67 SLC10A2 (0.82) SLC10A2

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-2016020785-A1 SYNTHESIS OF BENZOTHIAZEPINES GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO. 2) LIMITED (GB) 2016-02-11 WO disclosed