SCHEMBL6948994

SCHEMBL6948994

NC(=O)CC(c1c(Cl)ccc2c1CCO2)C1(C(=O)O)CC1

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 2/20 0.33
SLC9A5 Q14940 1/20 0.33
SLC9A2 Q9UBY0 1/20 0.33
FABP4 P15090 2/20 0.30
MTNR1A P48039 1/20 0.30
MTNR1B P49286 1/20 0.30

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
SCHEMBL6950801 0.80 PARP1 (0.32)
SCHEMBL6950866 0.79 SLC9A1 (0.41) SLC9A1SLC9A5SLC9A2MTNR1AMTNR1B
SCHEMBL6956175 0.68 MTNR1B (0.37) SLC9A1SLC9A5SLC9A2FABP4MTNR1A
SCHEMBL29520278 0.67 TSHR (0.41) SLC9A1SLC9A5SLC9A2FABP4MTNR1A
SCHEMBL21225333 0.67 TSHR (0.41) SLC9A1SLC9A5SLC9A2FABP4MTNR1A
SCHEMBL29328151 0.66 HTR2A (0.38) MTNR1AMTNR1B
SCHEMBL21225332 0.65 DPP4 (0.44) FABP4MTNR1AMTNR1B
SCHEMBL29421547 0.65 DPP4 (0.44) FABP4MTNR1AMTNR1B
SCHEMBL27499735 0.65 HDAC3 (0.49) FABP4
SCHEMBL18301929 0.65 AKR1B1 (0.47) FABP4MTNR1AMTNR1B

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 6 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-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