SCHEMBL9764323

SCHEMBL9764323

CN(C)C(=O)COc1ccc(/C=C\COCCCCCCN(Cc2ccccc2)CC(O)c2cc(Cl)c(N)c(Cl)c2)cc1

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAOB P27338 8/20 0.40
MAOA P21397 6/20 0.40
APP P05067 3/20 0.40
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
BCHE P06276 1/20 0.36
ACHE P22303 1/20 0.36

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
SCHEMBL9764330 1.00 MAOB (0.40) MAOBMAOAAPPNPC1RAB9A
SCHEMBL9764551 0.88 MAOA (0.37) MAOBMAOAAPPBCHEACHE
SCHEMBL9764546 0.88 MAOA (0.37) MAOBMAOAAPPBCHEACHE
SCHEMBL9764430 0.83 KCNH2 (0.44)
SCHEMBL9764436 0.83 KCNH2 (0.44)
SCHEMBL9764500 0.81 SLC2A1 (0.33) MAOBMAOAAPP
SCHEMBL9764504 0.81 SLC2A1 (0.33) MAOBMAOAAPP
SCHEMBL10417921 0.80 SLC2A1 (0.37) MAOBMAOAAPP
SCHEMBL10417920 0.80 SLC2A1 (0.37) MAOBMAOAAPP
SCHEMBL9764460 0.78 LTB4R (0.38) BCHEACHE

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