SCHEMBL9741554

SCHEMBL9741554

CC(CCc1ccccn1)OCCCCCCNCC(O)c1cc(Cl)c(N)c(Cl)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC2A1 P11166 1/20 0.49
▸ ADRB2 P07550 4/20 0.43
▸ ALDH1A1 P00352 3/20 0.42
▸ CYP1A2 P05177 2/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ KDM4E B2RXH2 3/20 0.39
▸ ADRB1 P08588 5/20 0.38
▸ SLC6A2 P23975 3/20 0.37
▸ SLC6A4 P31645 3/20 0.37
▸ ADRA1A P35348 3/20 0.37
▸ SLC6A3 Q01959 3/20 0.37
▸ LMNA P02545 2/20 0.37
▸ HTR1A P08908 2/20 0.37
▸ OPRK1 P41145 2/20 0.37
▸ TSHR P16473 2/20 0.37
▸ CYP3A4 P08684 2/20 0.36
▸ HTR2A P28223 2/20 0.36
▸ MLNR O43193 1/20 0.36
▸ NR1I2 O75469 1/20 0.36
▸ ABCB11 O95342 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
Picumeterol SCHEMBL83175 0.87 SLC2A1 (0.57) SLC2A1ADRB2CYP1A2KDM4EADRB1
Picumeterol SCHEMBL29414334 0.87 SLC2A1 (0.57) SLC2A1ADRB2CYP1A2KDM4EADRB1
SCHEMBL10418436 0.87 SLC2A1 (0.59) SLC2A1ADRB2CYP1A2KDM4EADRB1
Picumeterol SCHEMBL9857897 0.87 SLC2A1 (0.57) SLC2A1ADRB2CYP1A2KDM4EADRB1
SCHEMBL10416913 0.87 SLC2A1 (0.57) SLC2A1ADRB2CYP1A2KDM4EADRB1
Picumeterol SCHEMBL156907 0.87 SLC2A1 (0.57) SLC2A1ADRB2CYP1A2KDM4EADRB1
SCHEMBL10416519 0.87 SLC2A1 (0.59) SLC2A1ADRB2CYP1A2KDM4EADRB1
SCHEMBL9741835 0.87 SLC2A1 (0.57) SLC2A1ADRB2CYP1A2KDM4EADRB1
SCHEMBL10391329 0.86 SLC2A1 (0.57) SLC2A1ADRB2CYP1A2KDM4EADRB1
SCHEMBL10389940 0.82 SLC2A1 (0.53) SLC2A1ADRB2CYP1A2KDM4EADRB1

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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