SCHEMBL7008448

SCHEMBL7008448

NC1CC1c1coc2ccc3c(c12)CCCO3

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 3/20 0.45
HTR2C P28335 9/20 0.37
HTR2A P28223 7/20 0.37
HTR2B P41595 7/20 0.37
HTR1A P08908 6/20 0.37
HTR1D P28221 5/20 0.37
HTR6 P50406 2/20 0.35
HTR4 Q13639 2/20 0.35
ADRA2A P08913 1/20 0.35
ADRA2C P18825 1/20 0.35
HTR1B P28222 1/20 0.35
HTR7 P34969 1/20 0.35
MTNR1B P49286 2/20 0.31

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
SCHEMBL7238905 1.00 MTNR1A (0.45) MTNR1AHTR2CHTR2AHTR2BHTR1A
SCHEMBL7009054 0.90 MTNR1A (0.43) MTNR1AHTR2CHTR2AHTR2BHTR1A
SCHEMBL7238727 0.82 MTNR1A (0.42) MTNR1AHTR2CHTR2AHTR2BHTR1A
SCHEMBL7238723 0.82 MTNR1A (0.42) MTNR1AHTR2CHTR2AHTR2BHTR1A
SCHEMBL7016214 0.82 MTNR1A (0.47) MTNR1AHTR2CHTR2AHTR2BHTR1A
Ammonia Solution, Strong SCHEMBL27497763 0.81 MTNR1A (0.46) MTNR1AHTR2CHTR2AHTR2BHTR1A
SCHEMBL7013097 0.78 MTNR1A (0.55) MTNR1AMTNR1B
SCHEMBL7013102 0.78 MTNR1A (0.55) MTNR1AMTNR1B
SCHEMBL7228199 0.76 MTNR1B (0.45) MTNR1AHTR2CHTR2AHTR2BHTR1A
SCHEMBL7009759 0.76 MTNR1B (0.45) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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