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SCHEMBL11091072

SCHEMBL11091072

NC(=O)c1cc(OCCN(C[CH]c2ccccc2)Cc2ccccc2)ccc1O

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 9/20 0.53
▸ HCRTR2 O43614 5/20 0.44
▸ APP P05067 3/20 0.42
▸ MAOA P21397 3/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ ATM Q13315 1/20 0.40
▸ NR1H3 Q13133 1/20 0.39
▸ ESR1 P03372 1/20 0.39
▸ ESR2 Q92731 1/20 0.39

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
SCHEMBL11091074 0.84 MAOB (0.56) MAOBHCRTR2ATM
SCHEMBL5359397 0.80 MAOB (0.52) MAOBHCRTR2ATMNR1H3
SCHEMBL5347623 0.80 MAOB (0.52) MAOBHCRTR2ATMNR1H3
SCHEMBL5347615 0.80 MAOB (0.52) MAOBHCRTR2ATMNR1H3
SCHEMBL10713369 0.80 MAOB (0.52) MAOBHCRTR2KDM4EATMNR1H3
SCHEMBL11116967 0.78 MAOB (0.48) MAOBHCRTR2
SCHEMBL10712815 0.77 MAOB (0.48) MAOBHCRTR2NR1H3
SCHEMBL5351629 0.76 MAOB (0.48) MAOBHCRTR2NR1H3
SCHEMBL10714188 0.76 MAOB (0.50) MAOBNR1H3
SCHEMBL11283939 0.76 ALDH1A1 (0.50) MAOBHCRTR2KDM4ENR1H3

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