SCHEMBL6950864

SCHEMBL6950864

O=C(NCCCc1cccc2c1CCO2)C1CC1

nearest known ligand 0.56

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 17/20 0.56
MTNR1B P49286 14/20 0.56
DRD2 P14416 1/20 0.42
HTR2A P28223 1/20 0.42
DRD3 P35462 1/20 0.42

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
SCHEMBL6948606 0.84 MTNR1A (0.70) MTNR1AMTNR1B
Cyclopropane SCHEMBL6950925 0.82 MTNR1A (0.52) MTNR1AMTNR1B
SCHEMBL7557533 0.80 MTNR1A (0.73) MTNR1AMTNR1B
SCHEMBL8481998 0.79 MTNR1A (0.67) MTNR1AMTNR1BDRD2DRD3
SCHEMBL6948988 0.79 MTNR1A (0.50) MTNR1AMTNR1B
Cyclopropane SCHEMBL6952617 0.77 MTNR1A (0.51) MTNR1AMTNR1B
SCHEMBL8611672 0.76 MTNR1A (0.50) MTNR1AMTNR1B
SCHEMBL31561748 0.74 MTNR1A (0.42) MTNR1AMTNR1B
SCHEMBL6676720 0.73 MTNR1B (0.74) MTNR1AMTNR1BDRD2HTR2ADRD3
SCHEMBL7697605 0.73 MTNR1B (0.74) MTNR1AMTNR1BDRD2HTR2ADRD3

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