SCHEMBL6948957

SCHEMBL6948957

NC(=O)CCc1cccc2c1CCO2

nearest known ligand 0.48

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 15/20 0.48
MTNR1B P49286 8/20 0.48
SLC9A1 P19634 2/20 0.43
SLC9A5 Q14940 1/20 0.41
SLC9A2 Q9UBY0 1/20 0.41
MPO P05164 1/20 0.37

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
SCHEMBL6950648 0.91 MTNR1A (0.46) MTNR1AMTNR1BSLC9A1SLC9A5SLC9A2
SCHEMBL21626216 0.84 MTNR1B (0.47) MTNR1AMTNR1BSLC9A1SLC9A5SLC9A2
SCHEMBL6950092 0.79 MTNR1A (0.44) MTNR1AMTNR1BSLC9A1
SCHEMBL7883370 0.79 HTR2A (0.44) MTNR1AMTNR1BSLC9A1
SCHEMBL7080318 0.79 MTNR1A (0.38) MTNR1AMPO
SCHEMBL28349459 0.78 MTNR1B (0.44) MTNR1AMTNR1BSLC9A1SLC9A5SLC9A2
SCHEMBL9548993 0.76 MTNR1B (0.48) MTNR1AMTNR1BSLC9A1SLC9A5SLC9A2
SCHEMBL31561748 0.76 MTNR1A (0.42) MTNR1AMTNR1BSLC9A1
SCHEMBL6948960 0.76 MTNR1A (0.40) MTNR1AMTNR1BSLC9A1
SCHEMBL293436 0.76 MTNR1B (0.41) MTNR1AMTNR1BSLC9A1SLC9A5SLC9A2

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