SCHEMBL6580676

SCHEMBL6580676

O=S(=O)(Oc1cccc2c1CCO2)C(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 11/20 0.43
DRD3 P35462 8/20 0.43
HTR1D P28221 2/20 0.43
DRD4 P21917 6/20 0.42
HTR5A P47898 1/20 0.42
DRD1 P21728 4/20 0.41
DRD5 P21918 4/20 0.41
MTNR1A P48039 1/20 0.39
MTNR1B P49286 1/20 0.39

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
SCHEMBL6583279 0.81 MTNR1A (0.42) DRD2DRD3HTR1DMTNR1AMTNR1B
SCHEMBL9242197 0.80 MTNR1B (0.43) MTNR1AMTNR1B
SCHEMBL19436094 0.77 DRD2 (0.42) DRD2DRD3HTR1DDRD4HTR5A
SCHEMBL1285355 0.76 DRD2 (0.46) DRD2DRD3HTR1DDRD4HTR5A
SCHEMBL30042062 0.75 DRD2 (0.55) DRD2DRD3HTR1DDRD4HTR5A
SCHEMBL6582526 0.75 PTGS2 (0.40) DRD2DRD3HTR1DDRD4HTR5A
SCHEMBL22488448 0.73 DRD2 (0.36) DRD2DRD3HTR1DDRD4HTR5A
SCHEMBL360947 0.73 MTNR1B (0.50) MTNR1AMTNR1B
SCHEMBL8823791 0.73 DRD2 (0.48) DRD2DRD3HTR1DDRD4HTR5A
SCHEMBL1820878 0.73 DRD2 (0.53) DRD2DRD3HTR1DDRD4HTR5A

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1189900-B1 HETEROCYCLIC AMINOPYRROLIDINE DERIVATIVES AS MELATONERGIC AGENTS BRISTOL MYERS SQUIBB CO (US) 2004-01-14 EP disclosed
EP-1082115-A4 HETEROCYCLIC CIS CYCLOPROPANE DERIVATIVES AS MELATONERGIC AGENTS BRISTOL MYERS SQUIBB CO (US) 2002-10-24 EP disclosed
EP-1189900-A4 HETEROCYCLIC AMINOPYRROLIDINE DERIVATIVES AS MELATONERGIC AGENTS BRISTOL MYERS SQUIBB CO (US) 2002-07-31 EP disclosed
EP-1189900-A1 HETEROCYCLIC AMINOPYRROLIDINE DERIVATIVES AS MELATONERGIC AGENTS BRISTOL-MYERS SQUIBB COMPANY (US) 2002-03-27 EP disclosed
US-6214869-B1 SLEEP DISORDERS BRISTOL-MYERS SQUIBB 2001-04-10 US disclosed
US-6211225-B1 SLEEP DISORDERS AND CIRCADIAN RHYTHM DISORDERS BRISTOL-MEYERS SQUIBB 2001-04-03 US disclosed
EP-1082115-A1 HETEROCYCLIC CIS CYCLOPROPANE DERIVATIVES AS MELATONERGIC AGENTS BRISTOL-MYERS SQUIBB COMPANY (US) 2001-03-14 EP disclosed
WO-2001002392-A1 HETEROCYCLIC AMINOPYRROLIDINE DERIVATIVES AS MELATONERGIC AGENTS BRISTOL-MYERS SQUIBB COMPANY (US) 2001-01-11 WO disclosed
WO-1999062515-A1 HETEROCYCLIC CIS CYCLOPROPANE DERIVATIVES AS MELATONERGIC AGENTS BRISTOL-MYERS SQUIBB COMPANY (US) 1999-12-09 WO disclosed