SCHEMBL2541970

SCHEMBL2541970

COc1ccc2nccc(C(O)C(N)[C@H]3CC[C@H](NCc4ccc5c(n4)NC(=O)CS5)CC3)c2n1

nearest known ligand 0.75

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 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
SCHEMBL2535471 1.00 KCNH2 (0.47) KCNH2
SCHEMBL2537368 1.00 KCNH2 (0.47) KCNH2
SCHEMBL2535472 1.00 KCNH2 (0.47) KCNH2
SCHEMBL2537364 1.00 KCNH2 (0.47) KCNH2
SCHEMBL2535468 1.00 KCNH2 (0.47) KCNH2
SCHEMBL3374518 0.93 KCNH2 (0.48) KCNH2
SCHEMBL3374520 0.93 KCNH2 (0.48) KCNH2
SCHEMBL2536052 0.86 KCNH2 (0.51) KCNH2
SCHEMBL3377897 0.86 KCNH2 (0.51) KCNH2
SCHEMBL2536055 0.86 KCNH2 (0.51) 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-8044044-B2 4-(1-amino-ethyl)-cyclohexylamine derivatives ACTELION PHARMACEUTICAL LTD. (CH) 2011-10-25 US disclosed