SCHEMBL10586259

SCHEMBL10586259

COc1ccc2cc(CCCOCCCCCCNCC(O)c3cc(Cl)cc(Cl)c3N)ccc2c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC2A1 P11166 2/20 0.41
▸ ADRB2 P07550 15/20 0.39
▸ RAD52 P43351 1/20 0.39
▸ PAX8 Q06710 1/20 0.39
▸ ADRB1 P08588 10/20 0.37
▸ ADRB3 P13945 8/20 0.37
▸ KDM4E B2RXH2 1/20 0.36
▸ HTR1A P08908 1/20 0.36
▸ CHRM5 P08912 1/20 0.36
▸ DRD2 P14416 1/20 0.36
▸ ADRA2B P18089 1/20 0.36
▸ DRD4 P21917 1/20 0.36
▸ SLC6A2 P23975 1/20 0.36
▸ FPR3 P25089 1/20 0.36
▸ ADRA1D P25100 1/20 0.36
▸ HTR1D P28221 1/20 0.36
▸ HTR1B P28222 1/20 0.36
▸ HTR2A P28223 1/20 0.36
▸ HTR2C P28335 1/20 0.36
▸ SLC6A4 P31645 1/20 0.36

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
SCHEMBL9319198 0.88 SLC2A1 (0.48) SLC2A1ADRB2RAD52PAX8ADRB1
SCHEMBL9764442 0.81 ADRB2 (0.53) SLC2A1ADRB2ADRB1ADRB3KDM4E
SCHEMBL9764714 0.77 ADRB2 (0.53) SLC2A1ADRB2ADRB1ADRB3KDM4E
Hydrochloric Acid SCHEMBL9764518 0.76 ADRB2 (0.52) SLC2A1ADRB2ADRB1ADRB3KDM4E
SCHEMBL1679989 0.74 SLC2A1 (0.46) SLC2A1ADRB2ADRB1ADRB3KDM4E
SCHEMBL9764505 0.73 SLC2A1 (0.50) SLC2A1ADRB2ADRB1ADRB3KDM4E
SCHEMBL9321274 0.72 ADRB3 (0.67) ADRB2ADRB1ADRB3
SCHEMBL9764474 0.71 ADRB2 (0.53) SLC2A1ADRB2ADRB1ADRB3KDM4E
SCHEMBL9764530 0.71 SLC2A1 (0.48) SLC2A1ADRB2ADRB1ADRB3KDM4E
SCHEMBL9764439 0.70 SLC2A1 (0.49) SLC2A1ADRB2ADRB1ADRB3KDM4E

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-0317206-A2 Phenethanolamine derivatives GLAXO GROUP LIMITED (GB) 1989-05-24 — — EP disclosed
Send feedback