SCHEMBL20531046

SCHEMBL20531046

O=C(c1cccc(Cl)c1)N1CCN(Cc2c(-c3ccccc3)nc3ccccn23)CC1

nearest known ligand 0.91

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ KCNK3 O14649 17/20 0.91
▸ KCNK9 Q9NPC2 17/20 0.91
▸ SLC2A1 P11166 3/20 0.77

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
SCHEMBL18963203 0.95 KCNK3 (1.00) KCNK3KCNK9SLC2A1
SCHEMBL22364216 0.90 KCNK3 (0.73) KCNK3KCNK9SLC2A1
SCHEMBL22260962 0.87 KCNK3 (0.85) KCNK3KCNK9SLC2A1
SCHEMBL22260967 0.87 KCNK3 (0.85) KCNK3KCNK9SLC2A1
SCHEMBL16261531 0.87 SLC2A1 (1.00) KCNK3KCNK9SLC2A1
SCHEMBL18963276 0.85 KCNK3 (1.00) KCNK3KCNK9SLC2A1
SCHEMBL18963200 0.85 KCNK3 (1.00) KCNK3KCNK9
SCHEMBL29458044 0.85 KCNK3 (1.00) KCNK3KCNK9
SCHEMBL29432778 0.85 KCNK3 (1.00) KCNK3KCNK9SLC2A1
SCHEMBL29432726 0.85 KCNK3 (1.00) KCNK3KCNK9SLC2A1

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
EP-3386979-A1 2-PHENYL-3-(PIPERAZINOMETHYL)IMIDAZO[1,2-A]PYRIDINE DERIVATIVES AS BLOCKERS OF TASK-1 AND TASK-2 CHANNELS, FOR THE TREATMENT OF SLEEP-RELATED BREATHING DISORDERS Bayer Pharma Aktiengesellschaft (DE) 2018-10-17 — — EP disclosed
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