SCHEMBL8316610

SCHEMBL8316610

C=CCN1c2ccccc2CNS1(=O)=O

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 11/20 0.42
OPRM1 P35372 8/20 0.42
CA12 O43570 2/20 0.40
CA9 Q16790 2/20 0.40
CA2 P00918 1/20 0.40
ADRA1D P25100 1/20 0.38
ADRA1A P35348 1/20 0.38
ADRA1B P35368 1/20 0.38
GAA P10253 1/20 0.34
PRCP P42785 1/20 0.33
GRIA1 P42261 1/20 0.33
GRIA2 P42262 1/20 0.33
GRIA3 P42263 1/20 0.33
GRIA4 P48058 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.32

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
SCHEMBL8311345 0.86 OPRL1 (0.43) OPRL1OPRM1GRIA2
SCHEMBL904845 0.80 OPRL1 (0.46) OPRL1OPRM1CA12CA9CA2
SCHEMBL13158681 0.76 PER2 (0.47) OPRM1CA12CA9CA2ADRA1D
SCHEMBL9537439 0.74 PER2 (0.49) CA12CA9CA2ADRA1DADRA1A
SCHEMBL904818 0.70 OPRL1 (0.48) OPRL1OPRM1CA12CA9CA2
SCHEMBL11501224 0.69 GAA (0.44) CA12CA9ADRA1DADRA1AADRA1B
SCHEMBL8313828 0.68 GAA (0.44) CA12CA9CA2GAAPRCP
SCHEMBL8317764 0.68 CA12 (0.38) OPRM1CA12CA9CA2GAA
SCHEMBL14575177 0.67 CA12 (0.50) CA12CA9CA2ADRA1DADRA1A
SCHEMBL3285134 0.66 SLC6A2 (0.45) OPRL1OPRM1

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
US-5929072-A TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS ELI LILLY AND COMPANY LIMITED (GB) 1999-07-27 US disclosed
EP-0897921-A1 Benzothiadiazinyl-indole derivatives and their use as serotonin receptor ligands ELI LILLY AND COMPANY LIMITED (GB) 1999-02-24 EP disclosed