SCHEMBL6895959

SCHEMBL6895959

CC(C)NC(c1ccccc1)[C@H](N)[C@@H](C)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2C P18825 2/20 0.47
KDM4E B2RXH2 2/20 0.47
ADRA2A P08913 1/20 0.47
LMNA P02545 1/20 0.47
HIF1A Q16665 1/20 0.47
ALDH1A1 P00352 2/20 0.46
AOC3 Q16853 3/20 0.44
F2 P00734 1/20 0.41
CHRM2 P08172 1/20 0.40
ADRA1A P35348 1/20 0.40
RGS12 O14924 1/20 0.40
GLA P06280 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
PKM P14618 1/20 0.40
ALOX15 P16050 1/20 0.40
TSHR P16473 1/20 0.40
ALOX12 P18054 1/20 0.40
NFKB1 P19838 1/20 0.40

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
SCHEMBL20552577 0.84 ADRA2C (0.45) ADRA2CKDM4EADRA2ALMNAHIF1A
Hydrochloric Acid SCHEMBL4691512 0.81 KMT2A (0.52) ADRA2CKDM4EADRA2ALMNAHIF1A
SCHEMBL27854900 0.80 ADRA2C (0.45) ADRA2CKDM4EADRA2ALMNAHIF1A
SCHEMBL17465583 0.80 TDP1 (0.44) ADRA2CKDM4EADRA2ALMNAHIF1A
SCHEMBL30802089 0.79 DPP4 (0.52) ADRA2CKDM4EADRA2ALMNAHIF1A
SCHEMBL4078551 0.79 AOC3 (0.59) ADRA2CKDM4EADRA2ALMNAHIF1A
SCHEMBL30436892 0.79 AOC3 (0.59) ADRA2CKDM4EADRA2ALMNAHIF1A
SCHEMBL12573496 0.79 AOC3 (0.59) ADRA2CKDM4EADRA2ALMNAHIF1A
SCHEMBL6895263 0.77 KDM4E (0.43) ADRA2CKDM4EADRA2ALMNAHIF1A
SCHEMBL6894924 0.77 KDM4E (0.43) ADRA2CKDM4EADRA2ALMNAHIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2004502669-A 2004-01-29 JP claimed
EP-1353898-A2 COMPOUNDS TO TREAT ALZHEIMER'S DISEASE Elan Pharmaceuticals, Inc. (US) 2003-10-22 EP claimed
WO-2002002512-A2 COMPOUNDS TO TREAT ALZHEIMER'S DISEASE ELAN PHARMACEUTICALS, INC. (US) 2002-01-10 WO claimed