SCHEMBL8036060

SCHEMBL8036060

CCNC(C)(C)C1Cc2ccccc2O1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SSTR4 P31391 1/20 0.43
AOC2 O75106 5/20 0.35
MAOA P21397 5/20 0.35
MAOB P27338 5/20 0.35
DAO P14920 1/20 0.35
CHRM2 P08172 1/20 0.35
CHRM4 P08173 1/20 0.35
CHRM5 P08912 1/20 0.35
CHRM1 P11229 1/20 0.35
CHRM3 P20309 1/20 0.35
CA2 P00918 1/20 0.34
HIF1A Q16665 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33
KCNN4 O15554 1/20 0.33
GPBAR1 Q8TDU6 1/20 0.33
TP53 P04637 1/20 0.33

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
SCHEMBL11952613 0.78 SSTR4 (0.41) SSTR4AOC2MAOAMAOBDAO
SCHEMBL8035974 0.75 AOC2 (0.40) SSTR4AOC2MAOAMAOBDAO
SCHEMBL10877666 0.75 HIF1A (0.52) SSTR4HIF1A
SCHEMBL10366394 0.72 HIF1A (0.38) SSTR4AOC2MAOAMAOBDAO
SCHEMBL8026166 0.71 MAOB (0.40) AOC2MAOAMAOBDAOCHRM2
SCHEMBL7279348 0.71 SSTR4 (0.45) SSTR4AOC2MAOAMAOBDAO
SCHEMBL12911435 0.71 MAOA (0.41) SSTR4AOC2MAOAMAOBDAO
SCHEMBL2152425 0.69 SSTR4 (0.36) SSTR4AOC2MAOAMAOBDAO
SCHEMBL6477728 0.69 CYP19A1 (0.37) SSTR4AOC2MAOAMAOBDAO
SCHEMBL6473349 0.69 CYP19A1 (0.37) SSTR4AOC2MAOAMAOBDAO

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-2000076990-A1 NEW COMPOUNDS ASTRAZENECA AB (SE) 2000-12-21 WO disclosed