SCHEMBL10422909

SCHEMBL10422909

Nc1c(Cl)cc(C(O)CNCCCCCOCCc2ccccc2)cc1C(F)(F)F

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADRB2 P07550 18/20 0.50
▸ ADRB1 P08588 10/20 0.50
▸ ADRB3 P13945 8/20 0.50
▸ SLC6A2 P23975 2/20 0.50
▸ HTR2A P28223 2/20 0.50
▸ SLC6A4 P31645 2/20 0.50
▸ ADRA1A P35348 2/20 0.50
▸ SLC6A3 Q01959 2/20 0.50
▸ KDM4E B2RXH2 2/20 0.50
▸ MEN1 O00255 2/20 0.50
▸ TP53 P04637 2/20 0.50
▸ CYP3A4 P08684 2/20 0.50
▸ MAPK1 P28482 2/20 0.50
▸ KMT2A Q03164 2/20 0.50
▸ HTR1A P08908 1/20 0.50
▸ CHRM5 P08912 1/20 0.50
▸ DRD2 P14416 1/20 0.50
▸ ADRA2B P18089 1/20 0.50
▸ DRD4 P21917 1/20 0.50
▸ FPR3 P25089 1/20 0.50

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
SCHEMBL9764490 0.90 ADRB2 (0.58) ADRB2ADRB1ADRB3SLC6A2HTR2A
SCHEMBL9764465 0.90 ADRB2 (0.58) ADRB2ADRB1ADRB3SLC6A2HTR2A
SCHEMBL10422237 0.87 SLC2A1 (0.50) ADRB2ADRB1ADRB3SLC6A2HTR2A
Hydrochloric Acid SCHEMBL9021318 0.85 ADRB2 (0.61) ADRB2ADRB1ADRB3SLC6A2HTR2A
SCHEMBL9764503 0.82 ADRB2 (0.51) ADRB2ADRB1ADRB3SLC6A2HTR2A
SCHEMBL9764380 0.82 ADRB2 (0.53) ADRB2ADRB1ADRB3SLC6A2HTR2A
SCHEMBL10390478 0.81 ADRB2 (0.59) ADRB2ADRB1ADRB3SLC6A2HTR2A
SCHEMBL10423748 0.81 ADRB2 (0.41) ADRB2ADRB1MEN1KMT2ANR1I2
SCHEMBL10390454 0.81 ADRB2 (0.54) ADRB2ADRB1ADRB3SLC6A2HTR2A
SCHEMBL10417741 0.79 SLC2A1 (0.55) ADRB2ADRB1ADRB3SLC6A2HTR2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0278727-A2 1-(4-Amino-3-chloro-5-trifluoromethylphenyl)-2-(substituted amino)ethanol derivatives and their use in the treatment of respiratory disease GLAXO GROUP LIMITED (GB) 1988-08-17 — — EP claimed
US-4959381-A ADRENERGIC STIMULANTS GLAXO GROUP LIMITED (GB) 1990-09-25 — — US disclosed
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