SCHEMBL3687332

SCHEMBL3687332

COc1ccc2nccc(CC[C@]3(O)CC[C@@H](NCc4ccc5c(c4)OCCO5)CC3)c2c1.O=Cc1ccc2c(c1)OCCO2

nearest known ligand 0.65

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 17/20 0.65
SLC2A1 P11166 1/20 0.47

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
SCHEMBL3688156 0.93 KCNH2 (0.74) KCNH2SLC2A1
SCHEMBL3688159 0.93 KCNH2 (0.74) KCNH2SLC2A1
SCHEMBL3687390 0.93 KCNH2 (0.74) KCNH2SLC2A1
SCHEMBL13146374 0.83 KCNH2 (0.58) KCNH2
SCHEMBL3687247 0.82 KCNH2 (0.56) KCNH2
SCHEMBL3688396 0.82 KCNH2 (0.74) KCNH2
SCHEMBL3697556 0.81 KCNH2 (0.59) KCNH2
SCHEMBL5649335 0.81 KCNH2 (0.59) KCNH2
SCHEMBL5648927 0.81 KCNH2 (0.59) KCNH2
SCHEMBL3691384 0.81 KCNH2 (0.58) KCNH2SLC2A1

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
EP-2239260-A1 Novel compounds with antibacterial activity Morphochem Aktiengesellschaft Für Kombinatorische Chemie (DE) 2010-10-13 EP disclosed