SCHEMBL6955159

SCHEMBL6955159

NC(=O)CCc1c(Br)ccc2c1CCO2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1B P49286 8/20 0.42
MTNR1A P48039 8/20 0.36
EED O75530 2/20 0.35
SUZ12 Q15022 2/20 0.35
EZH2 Q15910 2/20 0.35
SLC9A1 P19634 2/20 0.34
TSHR P16473 1/20 0.34
HDAC3 O15379 1/20 0.34
HDAC4 P56524 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC7 Q8WUI4 1/20 0.34
HDAC2 Q92769 1/20 0.34
HDAC10 Q969S8 1/20 0.34
HDAC11 Q96DB2 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
HDAC9 Q9UKV0 1/20 0.34
HDAC5 Q9UQL6 1/20 0.34
MAP3K14 Q99558 1/20 0.34
AOC3 Q16853 1/20 0.33

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
SCHEMBL6956175 0.82 MTNR1B (0.37) MTNR1BMTNR1ASLC9A1TSHRMAP3K14
SCHEMBL6955724 0.82 EED (0.42) EEDSUZ12EZH2
SCHEMBL6949055 0.79 HTR2C (0.35) MTNR1BEEDSUZ12EZH2
Hydrochloric Acid SCHEMBL6948371 0.78 HTR2C (0.35) MTNR1BEEDSUZ12EZH2
SCHEMBL6950270 0.76 MTNR1B (0.56) MTNR1BMTNR1A
SCHEMBL6948957 0.75 MTNR1A (0.48) MTNR1BMTNR1ASLC9A1SLC9A5SLC9A2
SCHEMBL126247 0.72 DRD2 (0.37) MTNR1BMTNR1ASLC9A1MAP3K14
SCHEMBL20744138 0.69 HTR2C (0.35) MTNR1BSLC9A1
SCHEMBL30754266 0.69 MTNR1B (0.35) MTNR1BMTNR1AHDAC3HDAC4HDAC1
SCHEMBL1764937 0.69 MTNR1B (0.35) MTNR1BMTNR1AHDAC3HDAC4HDAC1

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