SCHEMBL5308649

SCHEMBL5308649

COc1cnc2cccc(CCCC3CCN(CCSc4cccs4)C[C@@H]3C(=O)O)c2c1

nearest known ligand 0.67

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 9/20 0.67

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
SCHEMBL3239693 1.00 KCNH2 (0.67) KCNH2
SCHEMBL3252874 0.94 KCNH2 (0.59) KCNH2
SCHEMBL5453376 0.94 KCNH2 (0.59) KCNH2
SCHEMBL3247359 0.91 KCNH2 (0.55) KCNH2
SCHEMBL3247355 0.91 KCNH2 (0.55) KCNH2
SCHEMBL6605966 0.91 KCNH2 (0.76) KCNH2
SCHEMBL3239699 0.90 KCNH2 (0.55) KCNH2
SCHEMBL3247763 0.90 KCNH2 (0.55) KCNH2
Hydrochloric Acid SCHEMBL7727211 0.90 KCNH2 (0.75) KCNH2
SCHEMBL3247589 0.89 KCNH2 (0.53) 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