SCHEMBL8316696

SCHEMBL8316696

CC(C)N1Cc2ccccc2N(CCCCCl)S1(=O)=O

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 12/20 0.38
SLC6A4 P31645 4/20 0.38
RORC P51449 2/20 0.36
DRD2 P14416 1/20 0.36
DRD4 P21917 1/20 0.36
OPRM1 P35372 2/20 0.35
OPRL1 P41146 2/20 0.35
KDM4E B2RXH2 2/20 0.34
PKM P14618 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
HSD17B10 Q99714 1/20 0.34
SLC6A3 Q01959 1/20 0.34
BRS3 P32247 1/20 0.33

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
SCHEMBL8317165 0.96 SLC6A2 (0.39) SLC6A2SLC6A4RORCDRD2DRD4
SCHEMBL8318057 0.91 KDM4E (0.39) SLC6A2SLC6A4RORCDRD4OPRM1
SCHEMBL8316061 0.74 CRY1 (0.35) SLC6A2SLC6A4SLC6A3
SCHEMBL6984197 0.73 KDM4E (0.41) RORCOPRM1KDM4EHSD17B10
SCHEMBL8317987 0.73 ADRA2A (0.36) RORCDRD2KDM4EPKML3MBTL1
SCHEMBL6985168 0.73 HTR2A (0.40) KDM4EPKML3MBTL1
SCHEMBL8314015 0.72 SLC6A2 (0.39) SLC6A2SLC6A4KDM4EPKML3MBTL1
SCHEMBL6500053 0.72 KCNH2 (0.32)
SCHEMBL8318169 0.71 SLC6A2 (0.34) SLC6A2SLC6A4SLC6A3
SCHEMBL7081764 0.71

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