SCHEMBL9741835

SCHEMBL9741835

Nc1c(Cl)cc(C(O)CNCCCCCCOCCCCCCc2ccccn2)cc1Cl

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC2A1 P11166 1/20 0.57
▸ ADRB2 P07550 15/20 0.46
▸ ADRB1 P08588 13/20 0.46
▸ ADRB3 P13945 12/20 0.46
▸ SLC6A2 P23975 2/20 0.46
▸ HTR2A P28223 2/20 0.46
▸ SLC6A4 P31645 2/20 0.46
▸ ADRA1A P35348 2/20 0.46
▸ SLC6A3 Q01959 2/20 0.46
▸ KDM4E B2RXH2 2/20 0.46
▸ HTR1A P08908 1/20 0.46
▸ CHRM5 P08912 1/20 0.46
▸ DRD2 P14416 1/20 0.46
▸ ADRA2B P18089 1/20 0.46
▸ DRD4 P21917 1/20 0.46
▸ FPR3 P25089 1/20 0.46
▸ ADRA1D P25100 1/20 0.46
▸ HTR1D P28221 1/20 0.46
▸ HTR1B P28222 1/20 0.46
▸ HTR2C P28335 1/20 0.46

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
SCHEMBL10416519 0.98 SLC2A1 (0.59) SLC2A1ADRB2ADRB1ADRB3SLC6A2
SCHEMBL10418436 0.98 SLC2A1 (0.59) SLC2A1ADRB2ADRB1ADRB3SLC6A2
Picumeterol SCHEMBL29414334 0.96 SLC2A1 (0.57) SLC2A1ADRB2ADRB1ADRB3SLC6A2
SCHEMBL10416913 0.96 SLC2A1 (0.57) SLC2A1ADRB2ADRB1ADRB3SLC6A2
Picumeterol SCHEMBL156907 0.96 SLC2A1 (0.57) SLC2A1ADRB2ADRB1ADRB3SLC6A2
Picumeterol SCHEMBL83175 0.96 SLC2A1 (0.57) SLC2A1ADRB2ADRB1ADRB3SLC6A2
Picumeterol SCHEMBL9857897 0.96 SLC2A1 (0.57) SLC2A1ADRB2ADRB1ADRB3SLC6A2
SCHEMBL10391329 0.95 SLC2A1 (0.57) SLC2A1ADRB2ADRB1ADRB3SLC6A2
SCHEMBL10389940 0.91 SLC2A1 (0.53) SLC2A1ADRB2ADRB1ADRB3SLC6A2
Picumeterol SCHEMBL9325626 0.89 SLC2A1 (0.54) SLC2A1ADRB2ADRB1ADRB3SLC6A2

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
Send feedback