SCHEMBL9742772

SCHEMBL9742772

CC(OCCCCCNCC(O)c1cc(Cl)c(N)c(Cl)c1)c1ccc2ccccc2n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.43
▸ SLC2A1 P11166 1/20 0.42
▸ ADRB2 P07550 11/20 0.42
▸ ADRB1 P08588 11/20 0.38
▸ SLC6A2 P23975 3/20 0.38
▸ SLC6A4 P31645 3/20 0.38
▸ ADRA1A P35348 3/20 0.38
▸ SLC6A3 Q01959 3/20 0.38
▸ LMNA P02545 2/20 0.38
▸ HTR1A P08908 2/20 0.38
▸ OPRK1 P41145 2/20 0.38
▸ TSHR P16473 2/20 0.38
▸ KDM4E B2RXH2 2/20 0.37
▸ CYP3A4 P08684 2/20 0.37
▸ HTR2A P28223 2/20 0.36
▸ MLNR O43193 1/20 0.36
▸ NR1I2 O75469 1/20 0.36
▸ ABCB11 O95342 1/20 0.36
▸ ADORA3 P0DMS8 1/20 0.36
▸ DRD1 P21728 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
SCHEMBL9742764 0.81 SLC2A1 (0.49) ALDH1A1SLC2A1ADRB2ADRB1SLC6A2
SCHEMBL9741406 0.81 SLC2A1 (0.51) ALDH1A1SLC2A1ADRB2ADRB1SLC6A2
SCHEMBL9741425 0.81 SLC2A1 (0.49) ALDH1A1SLC2A1ADRB2ADRB1SLC6A2
SCHEMBL10422236 0.77 SLC2A1 (0.43) ALDH1A1SLC2A1ADRB2ADRB1SLC6A2
SCHEMBL9741554 0.75 SLC2A1 (0.49) ALDH1A1SLC2A1ADRB2ADRB1SLC6A2
SCHEMBL9741718 0.73 SLC2A1 (0.52) SLC2A1ADRB2ADRB1SLC6A2SLC6A4
SCHEMBL9741980 0.73 SLC2A1 (0.48) SLC2A1ADRB2ADRB1SLC6A2SLC6A4
SCHEMBL9320952 0.72 SLC2A1 (0.50) ALDH1A1SLC2A1ADRB2ADRB1SLC6A2
SCHEMBL9764490 0.72 ADRB2 (0.58) ALDH1A1SLC2A1ADRB2ADRB1SLC6A2
SCHEMBL9764465 0.72 ADRB2 (0.58) ALDH1A1SLC2A1ADRB2ADRB1SLC6A2

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
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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