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Sugi Predict / Compounds / SCHEMBL11091074

SCHEMBL11091074

SCHEMBL11091074

NC(=O)c1cc(OCCN(CCc2ccccc2)Cc2ccccc2)ccc1O

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 7/20 0.56
▸ OPRM1 P35372 2/20 0.47
▸ OPRD1 P41143 2/20 0.47
▸ OPRK1 P41145 2/20 0.47
▸ HCRTR2 O43614 4/20 0.47
▸ SIRT2 Q8IXJ6 2/20 0.47
▸ BCHE P06276 2/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.45
▸ ATM Q13315 1/20 0.43

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
SCHEMBL11091072 0.84 MAOB (0.53) MAOBHCRTR2ATM
SCHEMBL5347623 0.84 MAOB (0.52) MAOBHCRTR2ATM
SCHEMBL5359397 0.84 MAOB (0.52) MAOBHCRTR2ATM
SCHEMBL5347615 0.84 MAOB (0.52) MAOBHCRTR2ATM
SCHEMBL10713369 0.84 MAOB (0.52) MAOBHCRTR2ATM
SCHEMBL11392266 0.81 MAOB (0.48) MAOBOPRM1BCHEL3MBTL1
SCHEMBL11381157 0.80 MAOB (0.46) MAOBOPRM1HCRTR2
SCHEMBL10714188 0.80 MAOB (0.50) MAOBBCHEL3MBTL1
SCHEMBL11283939 0.80 ALDH1A1 (0.50) MAOBHCRTR2
SCHEMBL5351629 0.80 MAOB (0.48) MAOBHCRTR2SIRT2

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-4460580-A N-Alkylated aminoalcohols and their pharmaceutical compositions useful for the treatment of cardiac insufficiency CIBA-GEIGY CORPORATION (US) 1984-07-17 — — US disclosed