SCHEMBL19807652

SCHEMBL19807652

O=C(C1CCCC1)N1CC2CCN(Cc3c(-c4ccc(Cl)cn4)nc4ccccn34)CC1C2

nearest known ligand 0.59

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ KCNK3 O14649 20/20 0.59
▸ KCNK9 Q9NPC2 20/20 0.59

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
SCHEMBL19807788 0.88 KCNK3 (0.71) KCNK3KCNK9
SCHEMBL22635958 0.86 KCNK3 (0.63) KCNK3KCNK9
SCHEMBL19807763 0.79 KCNK3 (0.54) KCNK3KCNK9
SCHEMBL24208185 0.78 KCNK3 (0.75) KCNK3KCNK9
SCHEMBL19807638 0.77 KCNK3 (0.60) KCNK3KCNK9
SCHEMBL22916255 0.76 KCNK3 (0.57) KCNK3KCNK9
SCHEMBL19807885 0.75 KCNK3 (0.75) KCNK3KCNK9
SCHEMBL22635923 0.75 KCNK3 (0.78) KCNK3KCNK9
SCHEMBL19807770 0.75 KCNK3 (0.55) KCNK3KCNK9
SCHEMBL19807628 0.75 KCNK3 (0.64) 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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