SCHEMBL19807868

SCHEMBL19807868

COc1ccc(F)c(C(=O)N2C[C@@H]3CC[C@H]2CCN3Cc2c(-c3ccc(Cl)cc3)nc3ccccn23)n1

nearest known ligand 0.85

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ KCNK3 O14649 20/20 0.85
▸ KCNK9 Q9NPC2 20/20 0.85

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
SCHEMBL22636127 0.94 KCNK3 (0.90) KCNK3KCNK9
SCHEMBL29457973 0.94 KCNK3 (0.90) KCNK3KCNK9
SCHEMBL29432795 0.92 KCNK3 (1.00) KCNK3KCNK9
SCHEMBL20587932 0.92 KCNK3 (1.00) KCNK3KCNK9
SCHEMBL19807614 0.89 KCNK3 (0.84) KCNK3KCNK9
SCHEMBL19807661 0.89 KCNK3 (0.81) KCNK3KCNK9
SCHEMBL29458006 0.89 KCNK3 (0.81) KCNK3KCNK9
SCHEMBL19807624 0.88 KCNK3 (0.90) KCNK3KCNK9
SCHEMBL29457972 0.88 KCNK3 (0.90) KCNK3KCNK9
SCHEMBL19807654 0.87 KCNK3 (0.78) 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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