SCHEMBL5250858

SCHEMBL5250858

COc1ccc2cccc(OCCC3CCN(CCSc4cccs4)CC3C(=O)O)c2n1

nearest known ligand 0.55

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 8/20 0.55
PRMT5 O14744 1/20 0.35
WDR77 Q9BQA1 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
SCHEMBL3241704 1.00 KCNH2 (0.55) KCNH2PRMT5WDR77
SCHEMBL3248823 0.90 KCNH2 (0.44) KCNH2PRMT5WDR77
SCHEMBL3252141 0.87 KCNH2 (0.65) KCNH2
SCHEMBL3252137 0.87 KCNH2 (0.65) KCNH2
SCHEMBL3244505 0.82 KCNH2 (0.67) KCNH2
SCHEMBL3253760 0.77 KCNH2 (0.53) KCNH2
SCHEMBL3253764 0.77 KCNH2 (0.53) KCNH2
SCHEMBL3249434 0.74 KCNH2 (0.73) KCNH2
SCHEMBL3239693 0.74 KCNH2 (0.67) KCNH2
SCHEMBL5308649 0.74 KCNH2 (0.67) KCNH2

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
EP-1799674-A1 NEW PIPERIDINE ANTIBIOTICS Actelion Pharmaceuticals Ltd. (CH) 2007-06-27 EP disclosed
WO-2006038172-A1 NEW PIPERIDINE ANTIBIOTICS ACTELION PHARMACEUTICALS LTD (CH) 2006-04-13 WO disclosed