SCHEMBL8947058

SCHEMBL8947058

COc1ccc2[nH]c(C(C)C)c(CCN)c2c1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 5/20 0.68
HTR1D P28221 4/20 0.68
MTNR1B P49286 9/20 0.65
MTNR1A P48039 8/20 0.65
HTR1A P08908 3/20 0.51
HTR7 P34969 3/20 0.51
HTR2A P28223 3/20 0.51
HTR2C P28335 3/20 0.51
MAPT P10636 2/20 0.51
TSHR P16473 2/20 0.51
TRPM8 Q7Z2W7 2/20 0.51
CYP1A2 P05177 1/20 0.51
NFKB1 P19838 1/20 0.51
HTR1B P28222 1/20 0.51
HTR4 Q13639 1/20 0.51
KDM4E B2RXH2 2/20 0.50
ALDH1A1 P00352 2/20 0.50
HSD17B10 Q99714 2/20 0.50
BLM P54132 1/20 0.50
PMP22 Q01453 1/20 0.50

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
SCHEMBL4244966 0.81 HTR1D (1.00) HTR6HTR1DMTNR1BMTNR1AHTR1A
SCHEMBL8946961 0.80 HTR6 (0.72) HTR6HTR1DMTNR1BMTNR1AHTR1A
Hydrochloric Acid SCHEMBL7433474 0.80 HTR1D (0.97) HTR6HTR1DMTNR1BMTNR1AHTR1A
SCHEMBL8229569 0.80 HTR6 (0.72) HTR6HTR1DMTNR1BMTNR1AHTR1A
SCHEMBL8691195 0.79 HTR6 (0.71) HTR6HTR1DMTNR1BMTNR1AHTR1A
SCHEMBL8946898 0.79 MTNR1A (1.00) MTNR1BMTNR1ATSHRCYP1A2KDM4E
Cyanide SCHEMBL28561862 0.78 HTR1D (0.92) HTR6HTR1DMTNR1BMTNR1AHTR1A
SCHEMBL21478112 0.77 HTR1D (0.50) HTR6HTR1DMTNR1BMTNR1AHTR1A
SCHEMBL7749049 0.76 TBXAS1 (0.52) HTR6HTR1DMTNR1BMTNR1AHTR7
SCHEMBL8947088 0.76 HTR6 (0.73) HTR6HTR1DMTNR1BMTNR1AHTR1A

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5552428-A ANTIARRHYTHMIA AGENTS FOR CARDIOVASCULAR DISORDERS USING MELATONIN DERIVATIVES INSTITUTO FARMACOLOGICO LOMBARDO-IFLO, S.A.S. (IT) 1996-09-03 US disclosed