SCHEMBL11468343

SCHEMBL11468343

Oc1ccc(CCCNCC(O)c2ccc(O)cc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 12/20 0.59
ADRB1 P08588 5/20 0.57
ALDH1A1 P00352 2/20 0.57
HIF1A Q16665 2/20 0.57
LMNA P02545 1/20 0.57
NPSR1 Q6W5P4 1/20 0.57
SLC22A1 O15245 1/20 0.57
CHRM2 P08172 1/20 0.57
CYP3A4 P08684 1/20 0.57
CHRM1 P11229 1/20 0.57
TSHR P16473 1/20 0.57
NFKB1 P19838 1/20 0.57
SLC6A4 P31645 1/20 0.57
OPRM1 P35372 1/20 0.57
SLC6A3 Q01959 1/20 0.57
ADRB3 P13945 1/20 0.52
HTR1A P08908 1/20 0.51
THPO P40225 1/20 0.51
BLM P54132 1/20 0.51
SMN1; SMN2 Q16637 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
SCHEMBL11468342 1.00 ADRB2 (0.59) ADRB2ADRB1ALDH1A1HIF1ALMNA
Oxalic Acid SCHEMBL11482348 0.93 SMN1; SMN2 (0.54) ADRB2ADRB1ALDH1A1HIF1ALMNA
SCHEMBL11467406 0.92 ADRB2 (0.61) ADRB2ADRB1ALDH1A1ADRB3SMN1; SMN2
SCHEMBL11467407 0.92 ADRB2 (0.61) ADRB2ADRB1ALDH1A1ADRB3SMN1; SMN2
Bromide SCHEMBL11470045 0.91 ADRB2 (0.59) ADRB2ADRB1ALDH1A1ADRB3SMN1; SMN2
Bromide SCHEMBL11470044 0.91 ADRB2 (0.59) ADRB2ADRB1ALDH1A1ADRB3SMN1; SMN2
SCHEMBL10604963 0.89 ADRB2 (0.67) ADRB2ADRB1ALDH1A1HIF1ALMNA
Acetic Acid SCHEMBL11468057 0.86 SMN1; SMN2 (0.57) ADRB2ALDH1A1ADRB3SMN1; SMN2TDP1
SCHEMBL11467451 0.85 ADRB2 (0.54) ADRB2ADRB1ALDH1A1HIF1ALMNA
SCHEMBL11464952 0.85 LMNA (0.58) ADRB2ADRB1HIF1ALMNATSHR

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-0007716-A1 R-N-(2-phenyl-2-hydroxyethyl)-3-phenylpropyl amines, their formulations, use and preparation ELI LILLY AND COMPANY (US) 1980-02-06 EP claimed