SCHEMBL6956175

SCHEMBL6956175

NC(=O)CCc1c(Cl)ccc2c1CCO2

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MTNR1B P49286 11/20 0.37
MTNR1A P48039 10/20 0.36
FABP4 P15090 1/20 0.35
SLC9A1 P19634 2/20 0.34
TSHR P16473 1/20 0.34
MAP3K14 Q99558 1/20 0.34
SLC9A5 Q14940 1/20 0.33
SLC9A2 Q9UBY0 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
SCHEMBL6955724 0.82 EED (0.42)
SCHEMBL6955159 0.82 MTNR1B (0.42) MTNR1BMTNR1ASLC9A1TSHRMAP3K14
SCHEMBL18301929 0.79 AKR1B1 (0.47) MTNR1BMTNR1AFABP4TSHR
SCHEMBL6956181 0.79 HTR2C (0.35)
SCHEMBL21224389 0.78 HTR2C (0.36)
SCHEMBL29421603 0.78 HTR2C (0.36)
Hydrochloric Acid SCHEMBL6955982 0.78 HTR2C (0.35)
SCHEMBL7081173 0.77 CA12 (0.33)
SCHEMBL6953856 0.76 MTNR1A (0.52) MTNR1BMTNR1A
Cyclopropane SCHEMBL6948950 0.76 MTNR1A (0.39) MTNR1BMTNR1A

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