SCHEMBL27798201

SCHEMBL27798201

CN[C@@](C)(CCO)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNN4 O15554 3/20 0.45
LMNA P02545 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP3A4 P08684 2/20 0.39
CYP1A2 P05177 1/20 0.39
RECQL P46063 1/20 0.39
CYP2C19 P33261 2/20 0.38
HIF1A Q16665 1/20 0.38
MAPK1 P28482 2/20 0.38
ALDH1A1 P00352 2/20 0.38
TAAR1 Q96RJ0 1/20 0.38
ALOX15 P16050 1/20 0.38
HDAC3 O15379 1/20 0.37
HDAC4 P56524 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC7 Q8WUI4 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC10 Q969S8 1/20 0.37
HDAC11 Q96DB2 1/20 0.37
HDAC8 Q9BY41 1/20 0.37

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
SCHEMBL27798202 1.00 KCNN4 (0.45) KCNN4LMNACYP2D6CYP3A4CYP1A2
SCHEMBL11137746 0.79 HIF1A (0.47) KCNN4CYP2D6CYP3A4CYP1A2RECQL
SCHEMBL19791134 0.79 MEN1 (0.37) LMNAMAPK1ALDH1A1TAAR1HDAC3
SCHEMBL9711508 0.78 CYP2C19 (0.60) KCNN4LMNACYP2D6CYP3A4CYP1A2
SCHEMBL3815914 0.78 KCNN4 (0.46) KCNN4LMNACYP2D6CYP3A4CYP1A2
SCHEMBL8285883 0.77 KCNN4 (0.50) KCNN4LMNACYP2D6CYP3A4CYP1A2
SCHEMBL10154515 0.75 NPC1 (0.46) LMNACYP2D6CYP3A4CYP1A2RECQL
SCHEMBL25014080 0.75 KCNN4 (0.48) KCNN4LMNACYP2D6CYP3A4CYP1A2
SCHEMBL29086464 0.75 KCNN4 (0.48) KCNN4LMNACYP2D6CYP3A4CYP1A2
SCHEMBL28333330 0.75 TAAR1 (0.56) KCNN4LMNACYP2D6CYP3A4CYP1A2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101932552-B Derivatives of 2-amino-2-phenyl-alkanols, preparation thereof and pharmaceutical compositions containing same OROXCELL 2014-06-18 CN disclosed
CN-101932552-A Derivatives of 2-amino-2-phenyl-alkanols, preparation thereof and pharmaceutical compositions containing same OROXCELL 2010-12-29 CN disclosed