SCHEMBL9764419

SCHEMBL9764419

Nc1c(Cl)cc(C(O)CNCCCCCOCCCc2c(O)cccc2O)cc1Cl

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC2A1 P11166 1/20 0.57
▸ ADRB2 P07550 18/20 0.55
▸ ADRB1 P08588 16/20 0.55
▸ SLC6A2 P23975 2/20 0.55
▸ HTR2A P28223 2/20 0.55
▸ SLC6A4 P31645 2/20 0.55
▸ ADRA1A P35348 2/20 0.55
▸ SLC6A3 Q01959 2/20 0.55
▸ MLNR O43193 1/20 0.55
▸ NR1I2 O75469 1/20 0.55
▸ ABCB11 O95342 1/20 0.55
▸ ADORA3 P0DMS8 1/20 0.55
▸ DRD1 P21728 1/20 0.55
▸ PTGS2 P35354 1/20 0.55
▸ MC3R P41968 1/20 0.55
▸ PDE4D Q08499 1/20 0.55
▸ SCN5A Q14524 1/20 0.55
▸ GHSR Q92847 1/20 0.55
▸ ADRB3 P13945 15/20 0.50
▸ KDM4E B2RXH2 1/20 0.48

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
SCHEMBL3982300 0.85 ADRB2 (0.67) SLC2A1ADRB2ADRB1SLC6A2HTR2A
SCHEMBL10417732 0.83 SLC2A1 (0.62) SLC2A1ADRB2ADRB1SLC6A2HTR2A
SCHEMBL9764465 0.83 ADRB2 (0.58) SLC2A1ADRB2ADRB1SLC6A2HTR2A
SCHEMBL9764490 0.83 ADRB2 (0.58) SLC2A1ADRB2ADRB1SLC6A2HTR2A
SCHEMBL10467798 0.83 SLC2A1 (0.53) SLC2A1ADRB2ADRB1SLC6A2HTR2A
SCHEMBL9764474 0.82 ADRB2 (0.53) SLC2A1ADRB2ADRB1SLC6A2HTR2A
Hydrochloric Acid SCHEMBL9021318 0.82 ADRB2 (0.61) SLC2A1ADRB2ADRB1SLC6A2HTR2A
SCHEMBL9509569 0.82 SLC2A1 (0.52) SLC2A1ADRB2ADRB1SLC6A2HTR2A
SCHEMBL10417912 0.81 SLC2A1 (0.50) SLC2A1ADRB2ADRB1SLC6A2HTR2A
SCHEMBL10417908 0.81 SLC2A1 (0.55) SLC2A1ADRB2ADRB1SLC6A2HTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0181709-B1 DICHLOROANILINE DERIVATIVES GLAXO GROUP LIMITED (GB) 1990-05-09 — — EP claimed
EP-0181709-A1 Dichloroaniline Derivatives GLAXO GROUP LIMITED (GB) 1986-05-21 — — EP claimed
US-5006556-A Dichloroaniline derivatives for the therapy or prophylaxysis of a disease associated with reversible airway obstruction GLAXO GROUP LIMITED (GB) 1991-04-09 — — US disclosed
US-4943591-A TREATMENT OF ASTHMA AND BRONCHITIS GLAXO GROUP LIMITED (GB) 1990-07-24 — — US disclosed
EP-0181709-A1 Dichloroaniline Derivatives GLAXO GROUP LIMITED (GB) 1986-05-21 — — EP disclosed
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