SCHEMBL6950651

SCHEMBL6950651

NCCCc1cccc2c1CCCO2

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 9/20 0.47
HTR2A P28223 7/20 0.47
HTR2B P41595 7/20 0.47
HTR1A P08908 6/20 0.47
HTR1D P28221 5/20 0.47
MTNR1A P48039 6/20 0.41
MTNR1B P49286 2/20 0.41
DRD2 P14416 1/20 0.40
HTR6 P50406 2/20 0.36
HTR4 Q13639 2/20 0.36
ADRA2A P08913 1/20 0.36
ADRA2C P18825 1/20 0.36
HTR1B P28222 1/20 0.36
HTR7 P34969 1/20 0.36
ACHE P22303 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
SCHEMBL6948960 0.90 MTNR1A (0.40) HTR2CHTR2AHTR2BHTR1AHTR1D
Hydrochloric Acid SCHEMBL6948695 0.89 MTNR1A (0.39) HTR2CHTR2AHTR2BHTR1AHTR1D
SCHEMBL20554279 0.83 HTR2C (0.44) HTR2CHTR2AHTR2BHTR1AHTR1D
SCHEMBL30289569 0.83 HTR2C (0.44) HTR2CHTR2AHTR2BHTR1AHTR1D
SCHEMBL27500349 0.81 MTNR1A (0.42) HTR2CHTR2AHTR2BHTR1AHTR1D
SCHEMBL7883370 0.80 HTR2A (0.44) HTR2CHTR2AHTR2BHTR1AHTR1D
SCHEMBL8552374 0.78 MTNR1A (0.41) HTR2CHTR2AHTR2BHTR1AHTR1D
SCHEMBL6950648 0.78 MTNR1A (0.46) HTR2CHTR2AHTR2BHTR1AHTR1D
SCHEMBL13243287 0.77 MTNR1A (0.44) HTR2CHTR2AHTR1AHTR1DMTNR1A
SCHEMBL20669648 0.77 MTNR1A (0.41) HTR2CHTR2AHTR2BHTR1AHTR1D

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