SCHEMBL27784397

SCHEMBL27784397

COc1ccc(Cc2ccc3cccc(CC#N)c3c2)cc1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 3/20 0.45
LTA4H P09960 1/20 0.44
MTNR1A P48039 7/20 0.43
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
MAPT P10636 1/20 0.42
HTT P42858 1/20 0.42
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
NQO2 P16083 1/20 0.41
HTR2C P28335 1/20 0.41
HTR2B P41595 1/20 0.41
MTNR1B P49286 1/20 0.41

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
SCHEMBL28070559 0.86 HTR2A (0.58) HTR2AMTNR1ANQO2HTR2CHTR2B
SCHEMBL989652 0.86 HTR2A (0.58) HTR2AMTNR1ANQO2HTR2CHTR2B
SCHEMBL30449882 0.86 HTR2A (0.58) HTR2AMTNR1ANQO2HTR2CHTR2B
SCHEMBL28852792 0.81 HTR2A (0.53) HTR2AMTNR1ANQO2HTR2CHTR2B
SCHEMBL27785801 0.80 HTR2A (0.52) HTR2AMTNR1AHTR2CHTR2BMTNR1B
SCHEMBL17690022 0.79 CYP2A6 (0.46) HTR2AALDH1A1LMNAMAPTHTT
SCHEMBL8933621 0.77 MTNR1A (0.52) MTNR1ANQO2MTNR1B
SCHEMBL3147660 0.77 HTR2A (0.48) HTR2AMTNR1ANQO2HTR2CHTR2B
SCHEMBL15662571 0.75 MTNR1A (0.54) HTR2AMTNR1AMTNR1B
Trifluoromethanesulfonic Acid SCHEMBL28227878 0.75 MTNR1A (0.53) HTR2AMTNR1ANQO2HTR2CHTR2B

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
CN-101759591-A Preparing method of N-[2-(7- anisyl-1- naphthyl) ethide] acetamide ZHEJIANG HUAHAI PHARM CO LTD 2010-06-30 CN disclosed