SCHEMBL9760416

SCHEMBL9760416

Nc1c(Cl)cc(C(O)CNCCCCCCSCCc2ccccn2)cc1Cl

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADRB2 P07550 3/20 0.46
▸ SLC2A1 P11166 1/20 0.46
▸ KDM4E B2RXH2 2/20 0.41
▸ CHRM2 P08172 1/20 0.40
▸ TP53 P04637 1/20 0.39
▸ ALDH1A1 P00352 3/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ HTT P42858 2/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ ADRB1 P08588 4/20 0.37
▸ LMNA P02545 2/20 0.37
▸ HTR1A P08908 1/20 0.37
▸ SLC6A2 P23975 1/20 0.37
▸ SLC6A4 P31645 1/20 0.37
▸ ADRA1A P35348 1/20 0.37
▸ OPRK1 P41145 1/20 0.37
▸ SLC6A3 Q01959 1/20 0.37
▸ TSHR P16473 1/20 0.37
▸ ADRA1D P25100 1/20 0.37

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
SCHEMBL10389940 0.91 SLC2A1 (0.53) ADRB2SLC2A1KDM4ETP53CYP1A2
SCHEMBL9741835 0.84 SLC2A1 (0.57) ADRB2SLC2A1KDM4ETP53CYP1A2
Picumeterol SCHEMBL156907 0.84 SLC2A1 (0.57) ADRB2SLC2A1KDM4ETP53CYP1A2
SCHEMBL10418436 0.84 SLC2A1 (0.59) ADRB2SLC2A1KDM4ETP53CYP1A2
SCHEMBL10416913 0.84 SLC2A1 (0.57) ADRB2SLC2A1KDM4ETP53CYP1A2
Picumeterol SCHEMBL83175 0.84 SLC2A1 (0.57) ADRB2SLC2A1KDM4ETP53CYP1A2
SCHEMBL10416519 0.84 SLC2A1 (0.59) ADRB2SLC2A1KDM4ETP53CYP1A2
Picumeterol SCHEMBL9857897 0.84 SLC2A1 (0.57) ADRB2SLC2A1KDM4ETP53CYP1A2
Picumeterol SCHEMBL29414334 0.84 SLC2A1 (0.57) ADRB2SLC2A1KDM4ETP53CYP1A2
SCHEMBL10391329 0.83 SLC2A1 (0.57) ADRB2SLC2A1KDM4ETP53CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0303466-A2 Ethanolamine derivatives GLAXO GROUP LIMITED (GB) 1989-02-15 — — EP claimed
US-4990664-A Drug for asthma or chronic bronchitis GLAXO GROUP LIMITED (GB) 1991-02-05 — — US disclosed
EP-0303466-A2 Ethanolamine derivatives GLAXO GROUP LIMITED (GB) 1989-02-15 — — EP disclosed
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