SCHEMBL7007789

SCHEMBL7007789

O=CCc1coc2ccc3c(c12)CCCO3

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 5/20 0.59
HTR2C P28335 9/20 0.40
HTR2A P28223 7/20 0.40
HTR2B P41595 7/20 0.40
HTR1A P08908 6/20 0.40
HTR1D P28221 5/20 0.40
HTR6 P50406 2/20 0.38
HTR4 Q13639 2/20 0.38
ADRA2A P08913 1/20 0.38
ADRA2C P18825 1/20 0.38
HTR1B P28222 1/20 0.38
HTR7 P34969 1/20 0.38
MTNR1B P49286 3/20 0.37

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
SCHEMBL8169091 0.80 MTNR1A (0.63) MTNR1AHTR2CHTR2AHTR2BHTR1A
Hydrochloric Acid SCHEMBL8169452 0.78 MTNR1A (0.62) MTNR1AHTR2CHTR2AHTR2BHTR1A
SCHEMBL7008905 0.78 MTNR1A (0.56) MTNR1AHTR2CHTR2AHTR2BHTR1A
Cyanide SCHEMBL27496770 0.75 MTNR1A (0.53) MTNR1AHTR2CHTR2AHTR2BHTR1A
SCHEMBL7797256 0.74 MTNR1A (1.00) MTNR1AHTR2CMTNR1B
SCHEMBL8162670 0.74 MTNR1A (0.75) MTNR1AHTR2CHTR2AHTR2BHTR1A
SCHEMBL8170080 0.73 MTNR1A (0.78) MTNR1AHTR2CHTR2AHTR2BHTR1A
SCHEMBL8400893 0.73 MTNR1A (0.68) MTNR1AHTR2CHTR2AHTR2BHTR1A
SCHEMBL7238217 0.73 MTNR1A (0.56) MTNR1AHTR2CHTR2AHTR2BHTR1A
SCHEMBL8175004 0.73 MTNR1A (0.76) MTNR1AHTR2CHTR2AHTR2BHTR1A

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
CN-1216856-C Novel cyclocompound having cycloalkylene chain, prepn. method and pharmaceutical compositions contg. same ADIR (FR) 2005-08-31 CN disclosed
US-6583319-B1 Treating or preventing melatoninergic disorders LES LABORATOIRES SERVIER (FR) 2003-06-24 US disclosed
EP-0994102-B1 Cyclic derivatives with a cycloalkylenic chain, process for their preparation and pharmaceutical compositions containing them SERVIER LAB (FR) 2003-03-19 EP disclosed
EP-0994102-A1 Cyclic derivatives with a cycloalkylenic chain, process for their preparation and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 2000-04-19 EP disclosed