SCHEMBL6950386

SCHEMBL6950386

CS(=O)(=O)OCCc1cccc2c1CCO2

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MTNR1B P49286 4/20 0.40
MTNR1A P48039 3/20 0.40
EED O75530 13/20 0.38
SUZ12 Q15022 13/20 0.38
EZH2 Q15910 13/20 0.38
P2RX7 Q99572 1/20 0.35
DRD2 P14416 1/20 0.35
HTR2A P28223 1/20 0.35
DRD3 P35462 1/20 0.35

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
SCHEMBL18994304 0.78 MTNR1B (0.44) MTNR1BMTNR1AEEDSUZ12EZH2
SCHEMBL14405818 0.76 MTNR1B (0.50) MTNR1BMTNR1AEEDSUZ12EZH2
SCHEMBL8405200 0.75 MTNR1B (0.52) MTNR1BMTNR1AP2RX7
SCHEMBL15068374 0.75
SCHEMBL8640789 0.73 LMNA (0.38)
SCHEMBL294333 0.73 MTNR1A (0.40) MTNR1BMTNR1AEEDSUZ12EZH2
SCHEMBL1960375 0.73 KDM4E (0.46) MTNR1BMTNR1A
SCHEMBL293436 0.72 MTNR1B (0.41) MTNR1BMTNR1AEEDSUZ12EZH2
SCHEMBL6950092 0.72 MTNR1A (0.44) MTNR1BMTNR1AEEDSUZ12EZH2
SCHEMBL7883370 0.72 HTR2A (0.44) MTNR1BMTNR1AEEDSUZ12EZH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0901483-B1 BENZOFURANS AND BENZOPYRANS AS CHRONOBIOLOGICAL AGENTS GLAXO GROUP LTD (GB) 2003-07-09 EP disclosed
US-5981572-A Benzofurans and benzopyrans as chronobiological agents GLAXO WELLCOME INC. (US) 1999-11-09 US disclosed
EP-0901483-A2 BENZOFURANS AND BENZOPYRANS AS CHRONOBIOLOGICAL AGENTS GLAXO GROUP LIMITED (GB) 1999-03-17 EP disclosed
WO-1997043272-A2 BENZOFURANS AND BENZOPYRANS AS CHRONOBIOLOGICAL AGENTS GLAXO GROUP LIMITED (GB) 1997-11-20 WO disclosed