SCHEMBL2446476

SCHEMBL2446476

COc1ccc2ncc3c(c2n1)C(CN1CC[C@@H](N)[C@@H](F)C1)CO3

nearest known ligand 0.40

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 13/20 0.40
SLC2A1 P11166 1/20 0.36

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
SCHEMBL2446474 1.00 KCNH2 (0.40) KCNH2SLC2A1
SCHEMBL1076723 0.89 KCNH2 (0.41) KCNH2SLC2A1
SCHEMBL2444813 0.88 KCNH2 (0.38) KCNH2SLC2A1
SCHEMBL2444809 0.88 KCNH2 (0.38) KCNH2SLC2A1
SCHEMBL1267921 0.85 SLC2A1 (0.40) KCNH2SLC2A1
SCHEMBL1267923 0.84 KCNH2 (0.46) KCNH2SLC2A1
SCHEMBL1266474 0.83 KCNH2 (0.36) KCNH2SLC2A1
SCHEMBL1266395 0.82 KDM2B (0.38) KCNH2SLC2A1
SCHEMBL1267066 0.80 KCNH2 (0.60) KCNH2
SCHEMBL1266668 0.80 KCNH2 (0.60) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8012961-B2 Tricyclic antibiotics ACTELION PHARMACEUTICAL LTD. (CH) 2011-09-06 US disclosed