SCHEMBL8035974

SCHEMBL8035974

CC(C)(N)C1Cc2ccccc2O1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AOC2 O75106 5/20 0.40
MAOA P21397 5/20 0.40
MAOB P27338 5/20 0.40
DAO P14920 1/20 0.40
SSTR4 P31391 1/20 0.39
CHRM2 P08172 2/20 0.39
CHRM4 P08173 2/20 0.39
CHRM5 P08912 2/20 0.39
CHRM1 P11229 2/20 0.39
CHRM3 P20309 2/20 0.39
NISCH Q9Y2I1 1/20 0.38
HIF1A Q16665 1/20 0.37
HPGD P15428 1/20 0.36
TSHR P16473 1/20 0.36
GLS O94925 1/20 0.35
HRH3 Q9Y5N1 1/20 0.34
GABRA1 P14867 1/20 0.34
GABRB2 P47870 1/20 0.34
ACHE P22303 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 0.85 SSTR4 (0.41) AOC2MAOAMAOBDAOSSTR4
SCHEMBL16252911 0.82 SSTR4 (0.49) SSTR4CHRM2CHRM4CHRM5CHRM1
SCHEMBL2152425 0.82 SSTR4 (0.36) AOC2MAOAMAOBDAOSSTR4
SCHEMBL10877666 0.81 HIF1A (0.52) SSTR4HIF1AHPGDACHE
SCHEMBL10366394 0.79 HIF1A (0.38) AOC2MAOAMAOBDAOSSTR4
SCHEMBL7279348 0.77 SSTR4 (0.45) AOC2MAOAMAOBDAOSSTR4
SCHEMBL12911435 0.77 MAOA (0.41) AOC2MAOAMAOBDAOSSTR4
SCHEMBL8036060 0.75 SSTR4 (0.43) AOC2MAOAMAOBDAOSSTR4
SCHEMBL6473349 0.72 CYP19A1 (0.37) AOC2MAOAMAOBDAOSSTR4
SCHEMBL6477728 0.72 CYP19A1 (0.37) AOC2MAOAMAOBDAOSSTR4

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