SCHEMBL9764358

SCHEMBL9764358

C#CCOCCCCCCN(Cc1ccccc1)CC(O)c1cc(Cl)c(N)c(Cl)c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 2/20 0.35
MAOB P27338 9/20 0.35
MAOA P21397 4/20 0.35
NR1H3 Q13133 3/20 0.33
KDM4E B2RXH2 1/20 0.33
PSEN1 P49768 1/20 0.33
PSEN2 P49810 1/20 0.33
SPPL2A Q8TCT8 1/20 0.33
APH1B Q8WW43 1/20 0.33
NCSTN Q92542 1/20 0.33
APH1A Q96BI3 1/20 0.33
PSENEN Q9NZ42 1/20 0.33
CYP51A1 Q16850 1/20 0.32
ADRB1 P08588 1/20 0.32
HTR1A P08908 1/20 0.32
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32
ADRA1A P35348 1/20 0.32
OPRK1 P41145 1/20 0.32
SLC6A3 Q01959 1/20 0.32

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
SCHEMBL9764429 0.87 ADRB2 (0.41) ADRB2MAOBNR1H3KDM4EPSEN1
SCHEMBL9764456 0.87 ADRB2 (0.41) ADRB2MAOBNR1H3KDM4EPSEN1
SCHEMBL9764371 0.87 ADRB2 (0.41) ADRB2NR1H3KDM4EPSEN1PSEN2
SCHEMBL9321535 0.86 MAOB (0.37) ADRB2MAOBMAOANR1H3KDM4E
SCHEMBL9324009 0.85 MAOB (0.39) MAOBMAOANR1H3KDM4ECYP51A1
SCHEMBL10465949 0.83 ADRB2 (0.33) ADRB2NR1H3CYP51A1SLC2A1
SCHEMBL9764329 0.82 ADRB2 (0.39) ADRB2NR1H3CYP51A1ADRB1SLC6A2
SCHEMBL9764389 0.82 ADRB2 (0.39) ADRB2NR1H3KDM4ECYP51A1ADRB1
SCHEMBL10417482 0.82 SLC2A1 (0.39) ADRB2NR1H3KDM4ECYP51A1ADRB1
SCHEMBL9764279 0.82 NR1H3 (0.35) MAOBNR1H3KDM4ESLC2A1

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
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
US-4937251-A TREATING ASTHMA AND BRONCHITIS; ADRENERGIC STIMULANTS GLAXO GROUP LIMITED (GB) 1990-06-26 US disclosed
US-4921867-A Pyridine compounds useful for therapy or prophylaxis of a disease associated with airway obstruction GLAXO GROUP LIMITED (GB) 1990-05-01 US disclosed
EP-0278728-A2 1-(4-Amino-3,5-dichlorophenyl)-2-(substituted amino)ethanol derivatives and their use in the treatment of respiratory disease GLAXO GROUP LIMITED (GB) 1988-08-17 EP disclosed