SCHEMBL7420872

SCHEMBL7420872

COc1cccc(C(CN)c2cc(OC)cc(OC)c2)c1

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 3/20 0.50
L3MBTL1 Q9Y468 1/20 0.49
CASR P41180 2/20 0.48
MTNR1A P48039 2/20 0.47
MTNR1B P49286 2/20 0.47
TAAR1 Q96RJ0 4/20 0.46
HTR2A P28223 1/20 0.45
MAOB P27338 1/20 0.45
ALDH1A1 P00352 1/20 0.44
CYP3A4 P08684 1/20 0.44
LMNA P02545 1/20 0.44

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
SCHEMBL3905884 0.91 TAAR1 (0.57) AOC3L3MBTL1CASRMTNR1AMTNR1B
SCHEMBL2806820 0.84 HTR2A (0.62) AOC3L3MBTL1CASRMTNR1AMTNR1B
SCHEMBL6001101 0.81 MTNR1A (0.55) AOC3L3MBTL1CASRMTNR1AMTNR1B
SCHEMBL11081355 0.80 AOC3 (0.54) AOC3L3MBTL1CASRMTNR1AMTNR1B
SCHEMBL7416098 0.80 AOC3 (0.38) AOC3L3MBTL1CASRTAAR1MAOB
SCHEMBL7410361 0.79 ACHE (0.42) TAAR1HTR2AMAOBALDH1A1
SCHEMBL410128 0.79 TAAR1 (0.53) AOC3L3MBTL1CASRTAAR1HTR2A
SCHEMBL413321 0.79 TAAR1 (0.53) AOC3L3MBTL1CASRTAAR1HTR2A
SCHEMBL1473114 0.79 AOC3 (0.53) AOC3L3MBTL1CASRTAAR1ALDH1A1
SCHEMBL30835582 0.78 FGFR2 (0.44) AOC3L3MBTL1CASRMTNR1AMTNR1B

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
WO-1988003147-A1 SELECTED N6-SUBSTITUTED ADENOSINES HAVING SELECTIVE A2 BINDING ACTIVITY WARNER-LAMBERT COMPANY (US) 1988-05-05 WO disclosed