SCHEMBL2330709

SCHEMBL2330709

COc1ccc2ncc(F)c(C[C@@H](NC(=O)OC(C)(C)C)[C@@H]3CC[C@@H](N)CO3)c2c1

nearest known ligand 0.45

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 7/20 0.37

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
SCHEMBL2330705 1.00 KCNH2 (0.37) KCNH2
SCHEMBL2325713 0.85 KCNH2 (0.46) KCNH2
SCHEMBL2325719 0.85 KCNH2 (0.46) KCNH2
SCHEMBL2328590 0.85 MTNR1A (0.42) KCNH2
SCHEMBL2325491 0.85 MTNR1A (0.42) KCNH2
SCHEMBL3120032 0.76 PTGS2 (0.36) KCNH2
SCHEMBL2325644 0.76 PTGS2 (0.36) KCNH2
SCHEMBL2325639 0.76 PTGS2 (0.36) KCNH2
SCHEMBL2543204 0.76 KCNH2 (0.45) KCNH2
SCHEMBL2537544 0.76 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2167494-B1 3-AMINO-6-(1-AMINO-ETHYL)-TETRAHYDROPYRAN DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2011-08-17 EP disclosed
EP-2167494-A1 3-AMINO-6-(1-AMINO-ETHYL)-TETRAHYDROPYRAN DERIVATIVES Actelion Pharmaceuticals Ltd. (CH) 2010-03-31 EP disclosed
WO-2008152603-A1 3-AMINO-6-(1-AMINO-ETHYL)-TETRAHYDROPYRAN DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2008-12-18 WO disclosed