SCHEMBL6948960

SCHEMBL6948960

NCCCc1cccc2c1CCO2

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 8/20 0.40
MTNR1B P49286 3/20 0.40
P2RX7 Q99572 1/20 0.37
HTR1A P08908 2/20 0.37
HTR1D P28221 2/20 0.37
HTR2A P28223 2/20 0.37
HTR2C P28335 2/20 0.37
HTR2B P41595 1/20 0.37
EED O75530 6/20 0.35
SUZ12 Q15022 6/20 0.35
EZH2 Q15910 6/20 0.35
SLC9A1 P19634 1/20 0.35
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
PDE4D Q08499 1/20 0.34

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 SCHEMBL6948695 0.98 MTNR1A (0.39) MTNR1AMTNR1BP2RX7HTR1AHTR1D
SCHEMBL6950651 0.90 HTR2C (0.47) MTNR1AMTNR1BHTR1AHTR1DHTR2A
SCHEMBL7883370 0.90 HTR2A (0.44) MTNR1AMTNR1BP2RX7HTR1AHTR1D
SCHEMBL31561748 0.83 MTNR1A (0.42) MTNR1AMTNR1BP2RX7EEDSUZ12
SCHEMBL294333 0.83 MTNR1A (0.40) MTNR1AMTNR1BP2RX7EEDSUZ12
SCHEMBL17841440 0.82 MTNR1B (0.43) MTNR1AMTNR1BP2RX7EEDSUZ12
SCHEMBL293689 0.82 MTNR1A (0.39) MTNR1AMTNR1BP2RX7EEDSUZ12
SCHEMBL292486 0.81 MTNR1A (0.38) MTNR1AMTNR1BP2RX7EEDSUZ12
SCHEMBL6950092 0.79 MTNR1A (0.44) MTNR1AMTNR1BP2RX7EEDSUZ12
SCHEMBL293436 0.79 MTNR1B (0.41) MTNR1AMTNR1BP2RX7EEDSUZ12

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