SCHEMBL2445323

SCHEMBL2445323

COc1ccc2ncc3c(c2n1)C(CN1CC[C@H](NCc2ccc4c(n2)NC(=O)CS4)[C@H](CO)C1)CO3

nearest known ligand 0.51

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 4/20 0.46

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
SCHEMBL2445325 1.00 KCNH2 (0.46) KCNH2
SCHEMBL2446457 0.92 KCNH2 (0.49) KCNH2
SCHEMBL2446459 0.92 KCNH2 (0.49) KCNH2
SCHEMBL2447658 0.89 KCNH2 (0.57) KCNH2
SCHEMBL2447664 0.89 KCNH2 (0.57) KCNH2
SCHEMBL1266373 0.89 KCNH2 (0.56) KCNH2
SCHEMBL1266760 0.89 KCNH2 (0.56) KCNH2
SCHEMBL1266353 0.89 KCNH2 (0.56) KCNH2
SCHEMBL1267756 0.88 KCNH2 (0.45) KCNH2
SCHEMBL1266323 0.88 KCNH2 (0.45) 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