SCHEMBL6956181

SCHEMBL6956181

NCCCc1c(Cl)ccc2c1CCO2

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 11/20 0.35
HTR2A P28223 10/20 0.35
HTR2B P41595 6/20 0.35
HTR1A P08908 2/20 0.35
HTR1D P28221 2/20 0.35
TAAR1 Q96RJ0 2/20 0.34
PNMT P11086 1/20 0.33
EED O75530 1/20 0.32
SUZ12 Q15022 1/20 0.32
EZH2 Q15910 1/20 0.32

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
Hydrochloric Acid SCHEMBL6955982 0.98 HTR2C (0.35) HTR2CHTR2AHTR2BHTR1AHTR1D
SCHEMBL21224389 0.83 HTR2C (0.36) HTR2CHTR2AHTR2BHTR1AHTR1D
SCHEMBL29421603 0.83 HTR2C (0.36) HTR2CHTR2AHTR2BHTR1AHTR1D
SCHEMBL6955732 0.83 EED (0.41) EEDSUZ12EZH2
SCHEMBL6949055 0.81 HTR2C (0.35) HTR2CHTR2AHTR2BHTR1AHTR1D
Hydrochloric Acid SCHEMBL6956077 0.81 EED (0.40) HTR2CHTR2AEEDSUZ12EZH2
Hydrochloric Acid SCHEMBL6948371 0.80 HTR2C (0.35) HTR2CHTR2AHTR2BHTR1AHTR1D
SCHEMBL6956175 0.79 MTNR1B (0.37)
Cyclopropane SCHEMBL6948950 0.76 MTNR1A (0.39)
SCHEMBL6953856 0.76 MTNR1A (0.52)

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