SCHEMBL11364907

SCHEMBL11364907

COc1ccccc1OCCNCC(O)COc1ccccc1C

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 5/20 0.66
ADRB1 P08588 2/20 0.66
GRK3 P35626 1/20 0.65
DRD2 P14416 3/20 0.64
KDM4E B2RXH2 1/20 0.64
TLR4 O00206 1/20 0.64
SLC22A2 O15244 1/20 0.64
SLC22A1 O15245 1/20 0.64
MLNR O43193 1/20 0.64
NR1I2 O75469 1/20 0.64
KCNK2 O95069 1/20 0.64
ABCB11 O95342 1/20 0.64
APP P05067 1/20 0.64
ABCB1 P08183 1/20 0.64
HTR1A P08908 1/20 0.64
ADRA2A P08913 1/20 0.64
ADORA3 P0DMS8 1/20 0.64
GAA P10253 1/20 0.64
MAPT P10636 1/20 0.64
ADRB3 P13945 1/20 0.64

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
SCHEMBL16550063 0.93 ADRB2 (0.73) ADRB2ADRB1GRK3DRD2KDM4E
SCHEMBL11363102 0.88 GRK3 (0.67) ADRB2ADRB1GRK3DRD2KDM4E
SCHEMBL17950815 0.88 ADRB2 (0.70) ADRB2ADRB1GRK3DRD2KDM4E
SCHEMBL11357355 0.88 ATM (0.59) ADRB2ADRB1DRD2KDM4EADRB3
SCHEMBL11360960 0.87 KDM4E (0.58) ADRB2ADRB1KDM4EADRB3KMT2A
SCHEMBL11199198 0.85 ADRB2 (0.53) ADRB2ADRB1GRK3DRD2KDM4E
SCHEMBL16550181 0.84 ADRB2 (0.70) ADRB2ADRB1GRK3DRD2KDM4E
SCHEMBL17946305 0.84 ADRB2 (0.60) ADRB2ADRB1SLC22A1ABCB1HTR1A
SCHEMBL11546543 0.84 ADRB2 (0.56) ADRB2ADRB1GRK3KDM4EADRB3
SCHEMBL11098798 0.83 ADRB2 (0.51) ADRB2ADRB1GRK3DRD2KDM4E

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