SCHEMBL9764460

SCHEMBL9764460

CN(C)C(=O)Cc1ccc(CCCCOCCCCCN(Cc2ccccc2)CC(O)c2cc(Cl)c(N)c(Cl)c2)cc1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 4/20 0.38
LTB4R2 Q9NPC1 4/20 0.38
NR1H3 Q13133 2/20 0.38
KDM4E B2RXH2 4/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
ADRB2 P07550 1/20 0.36
ALDH1A1 P00352 1/20 0.35
SLC2A1 P11166 1/20 0.35
BCHE P06276 1/20 0.35
ACHE P22303 1/20 0.35
CNR2 P34972 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
SCHEMBL9764371 0.90 ADRB2 (0.41) NR1H3KDM4EMEN1KMT2AADRB2
SCHEMBL9764429 0.86 ADRB2 (0.41) NR1H3KDM4EMEN1KMT2AADRB2
SCHEMBL9764456 0.86 ADRB2 (0.41) NR1H3KDM4EMEN1KMT2AADRB2
SCHEMBL9764301 0.85 NR1H3 (0.45) NR1H3ADRB2ALDH1A1BCHE
SCHEMBL9764389 0.85 ADRB2 (0.39) NR1H3KDM4EADRB2SLC2A1BCHE
SCHEMBL9321535 0.83 MAOB (0.37) NR1H3KDM4EADRB2BCHEACHE
SCHEMBL10389958 0.83 ADRB2 (0.41) NR1H3KDM4EMEN1KMT2AADRB2
SCHEMBL9764694 0.83 NR1H3 (0.45) NR1H3ADRB2ALDH1A1BCHE
SCHEMBL9764542 0.83 ADRB2 (0.41) NR1H3ADRB2ALDH1A1SLC2A1
SCHEMBL9764329 0.83 ADRB2 (0.39) NR1H3ADRB2SLC2A1BCHE

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 2 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