SCHEMBL11022293

SCHEMBL11022293

CN(C)CCCCCCCCCCCCOc1ccccc1-c1ccccc1

nearest known ligand 0.83

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.83
HTR7 P34969 2/20 0.79
ADRB2 P07550 3/20 0.70
ADRB1 P08588 1/20 0.70
ALDH1A1 P00352 3/20 0.68
SMN1; SMN2 Q16637 2/20 0.68
HTR1B P28222 1/20 0.56
TP53 P04637 1/20 0.54
MAPK1 P28482 1/20 0.54
RAB9A P51151 1/20 0.54
LSS P48449 1/20 0.53
THRA P10827 1/20 0.52
THRB P10828 1/20 0.52

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
SCHEMBL11017224 1.00 KDM4E (0.83) KDM4EHTR7ADRB2ADRB1ALDH1A1
SCHEMBL11020807 1.00 KDM4E (0.83) KDM4EHTR7ADRB2ADRB1ALDH1A1
SCHEMBL11019625 1.00 KDM4E (0.83) KDM4EHTR7ADRB2ADRB1ALDH1A1
SCHEMBL11022483 1.00 KDM4E (0.83) KDM4EHTR7ADRB2ADRB1ALDH1A1
SCHEMBL11019742 1.00 KDM4E (0.83) KDM4EHTR7ADRB2ADRB1ALDH1A1
SCHEMBL11018654 1.00 KDM4E (0.83) KDM4EHTR7ADRB2ADRB1ALDH1A1
SCHEMBL11018444 1.00 KDM4E (0.83) KDM4EHTR7ADRB2ADRB1ALDH1A1
SCHEMBL11023742 0.98 KDM4E (0.86) KDM4EHTR7ADRB2ADRB1ALDH1A1
Hydrochloric Acid SCHEMBL11622980 0.97 KDM4E (0.83) KDM4EHTR7ADRB2ADRB1ALDH1A1
SCHEMBL8415073 0.93 HTR7 (0.84) KDM4EHTR7ADRB2ADRB1ALDH1A1

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
EP-0157652-A1 2-, 3- And 4-biphenyloxyaminoalkanes and related compounds, their preparation and uses, and pharmaceutical compositions containing them SYNTEX (U.S.A.) INC. (US) 1985-10-09 EP disclosed