SCHEMBL8485604

SCHEMBL8485604

CCOC(=O)C(CC)(CN)CCCc1ccc2oc(-c3ccccc3C#N)cc2c1

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAOB P27338 4/20 0.37
MAOA P21397 2/20 0.37
ALOX5 P09917 2/20 0.36
PTGES O14684 1/20 0.36
FFAR1 O14842 7/20 0.36
S1PR1 P21453 1/20 0.35
FAAH O00519 1/20 0.34
ACHE P22303 1/20 0.34
JAK2 O60674 1/20 0.33
JAK3 P52333 1/20 0.33
CYP3A4 P08684 1/20 0.33

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
SCHEMBL8485600 0.82 MAOB (0.41) MAOBMAOAFFAR1JAK2JAK3
SCHEMBL8486942 0.81 LTB4R2 (0.35) MAOBMAOAALOX5PTGESFFAR1
SCHEMBL8910135 0.73 PTPN1 (0.32) S1PR1
SCHEMBL8482791 0.73 HRH3 (0.34) S1PR1
SCHEMBL27370060 0.70 FFAR1 (0.42) MAOBMAOAALOX5PTGESFFAR1
SCHEMBL1601470 0.70 S1PR1 (0.45) S1PR1
SCHEMBL8487461 0.68 MAOB (0.40) MAOBMAOA
SCHEMBL8487248 0.68 LTB4R2 (0.34) MAOBMAOAS1PR1FAAHACHE
SCHEMBL7440252 0.68 MAOB (0.46) MAOBMAOAFFAR1
SCHEMBL7437915 0.68 MAOB (0.42) MAOBMAOAALOX5PTGESFFAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5955487-A TREATING HIGH BLOOD PRESSURE, CARDIAC INSUFFICIENCY, GLAUCOMA CIBA-GEIGY CORPORATION (US) 1999-09-21 US disclosed
US-5620998-A CARDIOVASCULAR DISORDERS; HYPOTENSIVE AGENTS CIBA-GEIGY CORPORATION (US) 1997-04-15 US disclosed
US-5506240-A HYPOTENSIVE AGENTS CIBA-GEIGY CORPORATION (US) 1996-04-09 US disclosed