SCHEMBL5519429

SCHEMBL5519429

O=C1CSc2ccc(CNC[C@@H]3CCC[C@H](C(=O)O)C3)nc2N1

nearest known ligand 0.42

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 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
SCHEMBL5519433 1.00 KCNH2 (0.35) KCNH2
SCHEMBL5438244 1.00 KCNH2 (0.35) KCNH2
SCHEMBL5439142 0.80 KCNH2 (0.41) KCNH2
Hydrochloric Acid SCHEMBL16213418 0.79 KCNH2 (0.38) KCNH2
SCHEMBL5261492 0.79 HTT (0.45)
SCHEMBL3273358 0.79 BRD4 (0.38) KCNH2
SCHEMBL3573905 0.78 KCNH2 (0.38) KCNH2
SCHEMBL3581981 0.78 KCNH2 (0.38) KCNH2
SCHEMBL5264047 0.78 KCNH2 (0.38) KCNH2
SCHEMBL3579608 0.78 KCNH2 (0.38) 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-1799676-A2 NEW BICYCLIC ANTIBIOTICS Actelion Pharmaceuticals Ltd. (CH) 2007-06-27 EP disclosed
WO-2006032466-A2 NEW BICYCLIC ANTIBIOTICS ACTELION PHARMACEUTICALS LTD (CH) 2006-03-30 WO disclosed