SCHEMBL2442989

SCHEMBL2442989

COc1ccc2ncc3c(c2n1)C(CN1CC[C@H](NCc2cc4c(nn2)OCCO4)[C@H](CO)C1)CO3

nearest known ligand 0.50

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 16/20 0.50

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
SCHEMBL2442992 1.00 KCNH2 (0.50) KCNH2
SCHEMBL1267161 0.92 KCNH2 (0.59) KCNH2
SCHEMBL1266713 0.92 KCNH2 (0.59) KCNH2
SCHEMBL1267757 0.88 KCNH2 (0.56) KCNH2
SCHEMBL1266845 0.84 SLC2A1 (0.44) KCNH2
SCHEMBL1266600 0.84 SLC2A1 (0.44) KCNH2
SCHEMBL1266668 0.83 KCNH2 (0.60) KCNH2
SCHEMBL1266670 0.83 KCNH2 (0.60) KCNH2
SCHEMBL1267066 0.83 KCNH2 (0.60) KCNH2
SCHEMBL2447664 0.80 KCNH2 (0.57) 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