SCHEMBL11082452

SCHEMBL11082452

CCOC(=O)C(CCN)c1c[nH]c2ccc(OC)cc12

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 3/20 0.56
HTR2C P28335 3/20 0.56
HTR2B P41595 3/20 0.56
MTNR1A P48039 2/20 0.52
MTNR1B P49286 2/20 0.52
MAPT P10636 3/20 0.49
CYP1A2 P05177 2/20 0.49
HTR1A P08908 2/20 0.49
TSHR P16473 1/20 0.49
NFKB1 P19838 1/20 0.49
HTR1D P28221 1/20 0.49
HTR1B P28222 1/20 0.49
HTR7 P34969 1/20 0.49
HTR6 P50406 1/20 0.49
HTR4 Q13639 1/20 0.49
TRPM8 Q7Z2W7 1/20 0.49
NPSR1 Q6W5P4 2/20 0.48
BLM P54132 1/20 0.48
PMP22 Q01453 1/20 0.48
MEN1 O00255 2/20 0.47

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 SCHEMBL11263118 0.90 HTR2B (0.60) HTR2AHTR2CHTR2BMTNR1AMTNR1B
SCHEMBL11087004 0.85 ALDH1A1 (0.45) HTR2AHTR2CMTNR1AMTNR1BHTR1A
SCHEMBL13329217 0.82 MTNR1A (0.50) HTR2AHTR2CHTR2BMTNR1AMTNR1B
Indorenate SCHEMBL10080621 0.81 HTR2B (0.64) HTR2AHTR2CHTR2BMTNR1AMTNR1B
Indorenate SCHEMBL10566582 0.80 HTR2B (0.63) HTR2AHTR2CHTR2BMTNR1AMTNR1B
SCHEMBL10562985 0.80 HTR2B (0.66) HTR2AHTR2CHTR2BMTNR1AMTNR1B
SCHEMBL29003613 0.80 HTR2B (0.59) HTR2AHTR2CHTR2BMTNR1AMTNR1B
Hydrochloric Acid SCHEMBL11193808 0.79 HTR2B (0.64) HTR2AHTR2CHTR2BMTNR1AMTNR1B
Water SCHEMBL10561845 0.79 HTR2B (0.64) HTR2AHTR2CHTR2BMTNR1AMTNR1B
SCHEMBL9672135 0.76 MTNR1A (0.53) HTR2AHTR2CHTR2BMTNR1AMTNR1B

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-4444768-A ICE CREAM CONE WRAPPER CIBA-GEIGY CORPORATION (US) 1984-04-24 US disclosed