SCHEMBL6945053

SCHEMBL6945053

CC(=O)NCCCc1ccc(F)c2c1CCO2

nearest known ligand 0.54

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 13/20 0.54
MTNR1B P49286 6/20 0.42

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
SCHEMBL6951713 0.85 MTNR1A (0.54) MTNR1AMTNR1B
SCHEMBL6944965 0.78 MTNR1A (0.52) MTNR1AMTNR1B
SCHEMBL6955883 0.77 MTNR1A (0.43) MTNR1AMTNR1B
SCHEMBL6953416 0.77 MTNR1A (0.43) MTNR1AMTNR1B
SCHEMBL6948606 0.77 MTNR1A (0.70) MTNR1AMTNR1B
SCHEMBL6952763 0.77 HTR2A (0.40)
SCHEMBL6947052 0.75 MPO (0.38) MTNR1A
SCHEMBL1387144 0.72 MTNR1A (0.58) MTNR1AMTNR1B
SCHEMBL7522947 0.70 MTNR1A (1.00) MTNR1AMTNR1B
SCHEMBL6947461 0.70 MTNR1A (0.45) MTNR1AMTNR1B

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