SCHEMBL6955883

SCHEMBL6955883

CC(=O)NCCCc1c(Cl)cc(F)c2c1CCO2

nearest known ligand 0.43

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 12/20 0.43
MTNR1B P49286 7/20 0.40
ALDH1A1 P00352 1/20 0.36

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
SCHEMBL6947461 0.89 MTNR1A (0.45) MTNR1AMTNR1B
Cyclopropane SCHEMBL6952259 0.88 HTR3E (0.34) MTNR1A
SCHEMBL6953416 0.86 MTNR1A (0.43) MTNR1AMTNR1B
SCHEMBL6950797 0.85 MTNR1A (0.37) MTNR1AMTNR1BALDH1A1
SCHEMBL6950112 0.79 HTR2A (0.40)
SCHEMBL6950109 0.78 PARP1 (0.40)
SCHEMBL6945053 0.77 MTNR1A (0.54) MTNR1AMTNR1B
SCHEMBL6953856 0.77 MTNR1A (0.52) MTNR1AMTNR1B
SCHEMBL6951713 0.75 MTNR1A (0.54) MTNR1AMTNR1B
SCHEMBL6944965 0.75 MTNR1A (0.52) 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 2 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