SCHEMBL4748639

SCHEMBL4748639

CC(=O)Oc1cccc(C(Cc2ccccc2)NC2=NCCN2)c1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ BCHE P06276 8/20 0.46
▸ ACHE P22303 8/20 0.46
▸ MTNR1A P48039 2/20 0.41
▸ MTNR1B P49286 2/20 0.41
▸ WDR5 P61964 1/20 0.40
▸ MAOA P21397 4/20 0.39
▸ MAOB P27338 4/20 0.39
▸ NISCH Q9Y2I1 3/20 0.39
▸ ITGB3 P05106 2/20 0.38
▸ ITGAV P06756 2/20 0.38
▸ ITGA2B P08514 1/20 0.38
▸ PARP1 P09874 1/20 0.38

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
SCHEMBL4787772 0.90 POLB (0.41) MAOAMAOBNISCHITGB3ITGAV
SCHEMBL4787684 0.90 GAA (0.40) MAOAMAOBNISCH
SCHEMBL4787520 0.82 HTR1B (0.46) WDR5MAOAMAOBNISCHITGB3
SCHEMBL14042569 0.82 HTR1B (0.46) WDR5MAOAMAOBNISCHITGB3
SCHEMBL4749208 0.81 FFAR1 (0.38) WDR5MAOB
SCHEMBL949042 0.81 KDM4E (0.52) MAOAMAOBNISCH
Iodide SCHEMBL951481 0.80 KDM4E (0.51) MAOAMAOBNISCH
Acetic Acid SCHEMBL4787678 0.80 MAOA (0.42) MAOAMAOBNISCHITGB3ITGAV
Acetic Acid SCHEMBL4787766 0.80 OPRM1 (0.41) MAOAMAOBNISCH
SCHEMBL4114349 0.79 WDR5 (0.48) WDR5MAOAMAOBNISCH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008123821-A1 4, 5-DIHYDRO-LH-IMIDAZOL-2-AMINE DERIVATIVES FOR USE IN THE TREATMENT OF RESPIRATORY, CARDIOVASCULAR, NEUROLOGICAL OR GASTROINTESTINAL DISORDERS ALBIREO AB (SE) 2008-10-16 — — WO disclosed
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