SCHEMBL6950109

SCHEMBL6950109

NC(=O)CCc1c(Cl)cc(F)c2c1CCO2

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.40
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
HTR2B P41595 1/20 0.35
MAPT P10636 1/20 0.31
TSHR P16473 1/20 0.31
HTR3E A5X5Y0 1/20 0.31
HTR3B O95264 1/20 0.31
HTR3A P46098 1/20 0.31
HTR4 Q13639 1/20 0.31
HTR3D Q70Z44 1/20 0.31
HTR3C Q8WXA8 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
SCHEMBL6950112 0.82 HTR2A (0.40) PARP1HTR2AHTR2CHTR2B
SCHEMBL7083881 0.78
SCHEMBL6955883 0.78 MTNR1A (0.43)
SCHEMBL6950797 0.75 MTNR1A (0.37) MAPT
SCHEMBL6947052 0.75 MPO (0.38) PARP1HTR2AHTR2CHTR2B
SCHEMBL6956175 0.73 MTNR1B (0.37) TSHR
SCHEMBL6950801 0.71 PARP1 (0.32) PARP1HTR3EHTR3BHTR3AHTR4
SCHEMBL6955724 0.70 EED (0.42)
SCHEMBL27376952 0.68 EED (0.32) HTR2AHTR2CHTR2B
SCHEMBL29328237 0.66 EGFR (0.30) HTR2AHTR2CHTR2B

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