SCHEMBL6950866

SCHEMBL6950866

NC(=O)CC(c1cccc2c1CCO2)C1(C(=O)O)CC1

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 3/20 0.41
SLC9A5 Q14940 1/20 0.41
SLC9A2 Q9UBY0 1/20 0.41
MTNR1B P49286 14/20 0.34
MTNR1A P48039 12/20 0.33
USP9X Q93008 1/20 0.32
DRD2 P14416 1/20 0.31
HTR2A P28223 1/20 0.31
DRD3 P35462 1/20 0.31

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
SCHEMBL6948994 0.79 SLC9A1 (0.33) SLC9A1SLC9A5SLC9A2MTNR1BMTNR1A
SCHEMBL25108307 0.70 USP9X (0.43) SLC9A1SLC9A5SLC9A2MTNR1BMTNR1A
SCHEMBL1286533 0.69 SLC9A1 (0.36) SLC9A1SLC9A5SLC9A2MTNR1BMTNR1A
SCHEMBL20889391 0.68 SLC9A1 (0.39) SLC9A1SLC9A5SLC9A2MTNR1BMTNR1A
SCHEMBL19682593 0.68 SLC9A1 (0.39) SLC9A1SLC9A5SLC9A2MTNR1BMTNR1A
SCHEMBL6950801 0.68 PARP1 (0.32)
SCHEMBL21626216 0.67 MTNR1B (0.47) SLC9A1SLC9A5SLC9A2MTNR1BMTNR1A
SCHEMBL28000875 0.66 SLC9A1 (0.40) SLC9A1SLC9A5SLC9A2MTNR1BMTNR1A
SCHEMBL19690337 0.66 MTNR1B (0.39) SLC9A1SLC9A5SLC9A2MTNR1BMTNR1A
SCHEMBL19690338 0.66 MTNR1B (0.39) SLC9A1SLC9A5SLC9A2MTNR1BMTNR1A

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