SCHEMBL6950648

SCHEMBL6950648

NC(=O)CCc1cccc2c1CCCO2

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 13/20 0.46
MTNR1B P49286 4/20 0.46
HTR1A P08908 2/20 0.39
HTR1D P28221 2/20 0.39
HTR2A P28223 2/20 0.39
HTR2C P28335 2/20 0.39
HTR2B P41595 1/20 0.39
CTNNB1 P35222 1/20 0.36
WNT3A P56704 1/20 0.36
SLC9A1 P19634 2/20 0.36
MPO P05164 1/20 0.35
SLC9A5 Q14940 1/20 0.35
SLC9A2 Q9UBY0 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
SCHEMBL6948957 0.91 MTNR1A (0.48) MTNR1AMTNR1BSLC9A1MPOSLC9A5
SCHEMBL27640857 0.78 MTNR1A (0.46) MTNR1AMTNR1BHTR1AHTR1DHTR2A
SCHEMBL6950651 0.78 HTR2C (0.47) MTNR1AMTNR1BHTR1AHTR1DHTR2A
SCHEMBL7520038 0.78 MTNR1A (0.67) MTNR1AMTNR1B
SCHEMBL27500349 0.77 MTNR1A (0.42) MTNR1AMTNR1BHTR1AHTR1DHTR2A
SCHEMBL21872018 0.77 MTNR1A (0.47) MTNR1AMTNR1BHTR1AHTR1DHTR2A
SCHEMBL20554279 0.77 HTR2C (0.44) MTNR1AMTNR1BHTR1AHTR1DHTR2A
SCHEMBL30289569 0.77 HTR2C (0.44) MTNR1AMTNR1BHTR1AHTR1DHTR2A
SCHEMBL6682400 0.77 MTNR1A (0.44) MTNR1AMTNR1BHTR1AHTR1DHTR2A
SCHEMBL7080318 0.77 MTNR1A (0.38) MTNR1AMPO

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