SCHEMBL10422236

SCHEMBL10422236

CC(OCCCCCCNCC(O)c1cc(Cl)c(N)c(C(F)(F)F)c1)c1ccccn1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC2A1 P11166 1/20 0.43
▸ ADRB2 P07550 10/20 0.40
▸ ALDH1A1 P00352 1/20 0.39
▸ ADRB1 P08588 4/20 0.37
▸ CASR P41180 1/20 0.36
▸ KCNH2 Q12809 3/20 0.35
▸ LMNA P02545 2/20 0.34
▸ SLC6A2 P23975 2/20 0.34
▸ SLC6A4 P31645 2/20 0.34
▸ ADRA1A P35348 2/20 0.34
▸ SLC6A3 Q01959 2/20 0.34
▸ HTR1A P08908 1/20 0.34
▸ OPRK1 P41145 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ MLNR O43193 1/20 0.34
▸ NR1I2 O75469 1/20 0.34
▸ ABCB11 O95342 1/20 0.34
▸ ADORA3 P0DMS8 1/20 0.34

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
SCHEMBL10422237 0.82 SLC2A1 (0.50) SLC2A1ADRB2ADRB1KCNH2SLC6A2
SCHEMBL10422891 0.81 ADRB2 (0.38) ADRB2ALDH1A1ADRB1KDM4ENR1I2
SCHEMBL9742772 0.77 ALDH1A1 (0.43) SLC2A1ADRB2ALDH1A1ADRB1KCNH2
SCHEMBL10422909 0.77 ADRB2 (0.50) SLC2A1ADRB2ALDH1A1ADRB1KCNH2
SCHEMBL9741554 0.77 SLC2A1 (0.49) SLC2A1ADRB2ALDH1A1ADRB1KCNH2
SCHEMBL13799302 0.75 ADRB2 (0.63) ADRB2ADRB1KCNH2LMNASLC6A2
SCHEMBL31010972 0.75 ADRB2 (0.63) ADRB2ADRB1KCNH2LMNASLC6A2
Picumeterol SCHEMBL83175 0.72 SLC2A1 (0.57) SLC2A1ADRB2ADRB1KCNH2SLC6A2
Picumeterol SCHEMBL156907 0.72 SLC2A1 (0.57) SLC2A1ADRB2ADRB1KCNH2SLC6A2
SCHEMBL10416913 0.72 SLC2A1 (0.57) SLC2A1ADRB2ADRB1KCNH2SLC6A2

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
US-4959381-A ADRENERGIC STIMULANTS GLAXO GROUP LIMITED (GB) 1990-09-25 — — US disclosed
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 disclosed
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