SCHEMBL9742101

SCHEMBL9742101

Nc1c(Cl)cc(C(O)CNCCCCCCOCCCCCCc2ncccn2)cc1Cl

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC2A1 P11166 1/20 0.58
▸ ADRB2 P07550 16/20 0.44
▸ ADRB1 P08588 14/20 0.44
▸ SLC6A2 P23975 3/20 0.44
▸ SLC6A4 P31645 3/20 0.44
▸ ADRA1A P35348 3/20 0.44
▸ SLC6A3 Q01959 3/20 0.44
▸ HTR2A P28223 2/20 0.44
▸ MLNR O43193 1/20 0.44
▸ NR1I2 O75469 1/20 0.44
▸ ABCB11 O95342 1/20 0.44
▸ ADORA3 P0DMS8 1/20 0.44
▸ DRD1 P21728 1/20 0.44
▸ PTGS2 P35354 1/20 0.44
▸ MC3R P41968 1/20 0.44
▸ PDE4D Q08499 1/20 0.44
▸ SCN5A Q14524 1/20 0.44
▸ GHSR Q92847 1/20 0.44
▸ ADRB3 P13945 12/20 0.44
▸ HTR1A P08908 2/20 0.44

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
SCHEMBL9741158 1.00 SLC2A1 (0.58) SLC2A1ADRB2ADRB1SLC6A2SLC6A4
SCHEMBL9741835 0.88 SLC2A1 (0.57) SLC2A1ADRB2ADRB1SLC6A2SLC6A4
SCHEMBL10417732 0.86 SLC2A1 (0.62) SLC2A1ADRB2ADRB1SLC6A2SLC6A4
Picumeterol SCHEMBL156907 0.86 SLC2A1 (0.57) SLC2A1ADRB2ADRB1SLC6A2SLC6A4
SCHEMBL10416913 0.86 SLC2A1 (0.57) SLC2A1ADRB2ADRB1SLC6A2SLC6A4
Picumeterol SCHEMBL83175 0.86 SLC2A1 (0.57) SLC2A1ADRB2ADRB1SLC6A2SLC6A4
Picumeterol SCHEMBL29414334 0.86 SLC2A1 (0.57) SLC2A1ADRB2ADRB1SLC6A2SLC6A4
SCHEMBL10416519 0.86 SLC2A1 (0.59) SLC2A1ADRB2ADRB1SLC6A2SLC6A4
Picumeterol SCHEMBL9857897 0.86 SLC2A1 (0.57) SLC2A1ADRB2ADRB1SLC6A2SLC6A4
SCHEMBL10418436 0.86 SLC2A1 (0.59) SLC2A1ADRB2ADRB1SLC6A2SLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0303464-A2 Chloroaniline derivatives GLAXO GROUP LIMITED (GB) 1989-02-15 — — EP claimed
US-5149698-A Pyrimidinyl alkyleneoxy bronchodilator agent GLAXO GROUP LIMITED (GB) 1992-09-22 — — US disclosed
US-4996218-A Bronchodilator, antiulcer agent, cardiovascular disorders GLAXO GROUP LIMITED (GB) 1991-02-26 — — US disclosed
EP-0303464-A2 Chloroaniline derivatives GLAXO GROUP LIMITED (GB) 1989-02-15 — — EP disclosed
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