SCHEMBL11360960

SCHEMBL11360960

Cc1ccccc1OCC(O)CNCCOc1ccccc1O

nearest known ligand 0.64

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.58
ALDH1A1 P00352 2/20 0.58
ADRB2 P07550 3/20 0.58
ADRB1 P08588 2/20 0.58
ADRB3 P13945 1/20 0.58
KMT2A Q03164 2/20 0.54
MEN1 O00255 1/20 0.54
CYP1A2 P05177 1/20 0.54
NPSR1 Q6W5P4 1/20 0.51

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
SCHEMBL11364907 0.87 ADRB2 (0.66) KDM4EADRB2ADRB1ADRB3KMT2A
SCHEMBL11355780 0.85 ATM (0.59) KDM4EALDH1A1ADRB2ADRB1ADRB3
SCHEMBL17946305 0.84 ADRB2 (0.60) ALDH1A1ADRB2ADRB1ADRB3CYP1A2
SCHEMBL11546543 0.84 ADRB2 (0.56) KDM4EALDH1A1ADRB2ADRB1ADRB3
SCHEMBL11357355 0.82 ATM (0.59) KDM4EALDH1A1ADRB2ADRB1ADRB3
SCHEMBL10740739 0.82 ADRB2 (0.65) KDM4EALDH1A1ADRB2ADRB1ADRB3
Hydrochloric Acid SCHEMBL11084668 0.82 KDM4E (0.53) KDM4EALDH1A1ADRB2ADRB1ADRB3
SCHEMBL11279285 0.82 ADRB1 (0.66) ADRB2ADRB1ADRB3KMT2AMEN1
SCHEMBL8055366 0.82 DRD2 (0.67) KDM4EALDH1A1ADRB2ADRB1ADRB3
SCHEMBL11360462 0.81 DRD2 (0.56) KDM4EALDH1A1ADRB2ADRB1ADRB3

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-4263325-A PHENOXY- AMINE DERIVATIVES AKTIEBOLAGET HASSLE (SE) 1981-04-21 US disclosed