SCHEMBL6949192

SCHEMBL6949192

NCCCc1cccc2c1C=CCO2

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 4/20 0.41
MTNR1B P49286 1/20 0.41
CYP2B6 P20813 1/20 0.36
CYP1A2 P05177 6/20 0.34
CYP1A1 P04798 5/20 0.34
CYP1B1 Q16678 5/20 0.34
MPO P05164 1/20 0.32
SLC6A4 P31645 1/20 0.32
TLR8 Q9NR97 1/20 0.30

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
SCHEMBL5539623 0.84 MTNR1A (0.41) MTNR1AMTNR1BCYP2B6CYP1A2CYP1A1
SCHEMBL27518049 0.81 MTNR1A (0.42) MTNR1AMTNR1BCYP2B6CYP1A2CYP1A1
SCHEMBL6949187 0.78 MTNR1A (0.46) MTNR1AMTNR1BCYP2B6CYP1A2CYP1A1
SCHEMBL7667186 0.73 MTNR1A (0.39) MTNR1AMTNR1BCYP2B6CYP1A2CYP1A1
SCHEMBL8611672 0.73 MTNR1A (0.50) MTNR1AMTNR1B
SCHEMBL31027144 0.72 MTNR1A (0.46) MTNR1AMTNR1BCYP2B6CYP1A2CYP1A1
SCHEMBL14653042 0.71 CYP2B6 (0.42) MTNR1AMTNR1BCYP2B6CYP1A2CYP1A1
Hydrochloric Acid SCHEMBL29164105 0.69 CYP2B6 (0.41) MTNR1AMTNR1BCYP2B6CYP1A2CYP1A1
SCHEMBL8723362 0.69 STS (0.38) CYP2B6CYP1A2CYP1A1CYP1B1
SCHEMBL29016946 0.69 TAAR1 (0.41) MTNR1AMTNR1BCYP2B6CYP1A2CYP1A1

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