SCHEMBL19807729

SCHEMBL19807729

COc1cccc(C(=O)N2CC3CCN(Cc4c(-c5ccc(Cl)cc5)nc5ccccn45)CC2C3)c1

nearest known ligand 0.72

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ KCNK3 O14649 20/20 0.72
▸ KCNK9 Q9NPC2 20/20 0.72

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
SCHEMBL29458033 0.87 KCNK3 (0.79) KCNK3KCNK9
SCHEMBL22636272 0.87 KCNK3 (0.79) KCNK3KCNK9
SCHEMBL19807873 0.85 KCNK3 (0.78) KCNK3KCNK9
SCHEMBL29432741 0.85 KCNK3 (0.78) KCNK3KCNK9
SCHEMBL19807639 0.84 KCNK3 (0.80) KCNK3KCNK9
SCHEMBL18963200 0.84 KCNK3 (1.00) KCNK3KCNK9
SCHEMBL29458044 0.84 KCNK3 (1.00) KCNK3KCNK9
SCHEMBL21360490 0.83 KCNK3 (1.00) KCNK3KCNK9
SCHEMBL29432816 0.83 KCNK3 (1.00) KCNK3KCNK9
SCHEMBL19807788 0.82 KCNK3 (0.71) KCNK3KCNK9

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
WO-2018015196-A1 SUBSTITUTED DIAZAHETERO-BICYCLIC COMPOUNDS AND THEIR USE BAYER AKTIENGESELLSCHAFT (DE) 2018-01-25 — — WO disclosed
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