SCHEMBL9764542

SCHEMBL9764542

CC(=O)Nc1ccc(CCOCCCCCCN(Cc2ccccc2)CC(O)c2cc(Cl)c(N)c(Cl)c2)cc1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 1/20 0.41
KCNH2 Q12809 1/20 0.37
SLC2A1 P11166 1/20 0.36
NR1H3 Q13133 2/20 0.36
RORC P51449 5/20 0.36
SMO Q99835 1/20 0.36
HTT P42858 2/20 0.35
MAOB P27338 3/20 0.35
MAPT P10636 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35

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
SCHEMBL9764456 0.89 ADRB2 (0.41) ADRB2KCNH2SLC2A1NR1H3MAOB
SCHEMBL9764429 0.89 ADRB2 (0.41) ADRB2KCNH2SLC2A1NR1H3MAOB
SCHEMBL9764425 0.88 KCNH2 (0.51) ADRB2KCNH2
SCHEMBL9764389 0.87 ADRB2 (0.39) ADRB2KCNH2SLC2A1NR1H3MAPT
SCHEMBL9764694 0.86 NR1H3 (0.45) ADRB2KCNH2NR1H3MAOBALDH1A1
SCHEMBL9764329 0.86 ADRB2 (0.39) ADRB2SLC2A1NR1H3
SCHEMBL9764371 0.85 ADRB2 (0.41) ADRB2KCNH2SLC2A1NR1H3
SCHEMBL9764242 0.84 MC4R (0.39) ADRB2KCNH2ALDH1A1LMNA
SCHEMBL9764460 0.83 LTB4R (0.38) ADRB2SLC2A1NR1H3ALDH1A1
SCHEMBL9321535 0.83 MAOB (0.37) ADRB2NR1H3MAOBLMNA

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 4 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
EP-0181709-B1 DICHLOROANILINE DERIVATIVES GLAXO GROUP LIMITED (GB) 1990-05-09 EP disclosed
EP-0181709-A1 Dichloroaniline Derivatives GLAXO GROUP LIMITED (GB) 1986-05-21 EP disclosed