SCHEMBL14784572

SCHEMBL14784572

CC(=O)N1CCc2c(c(-c3cccc(C#N)c3)nn2Cc2cc(Cl)c(Cl)cn2)C1

nearest known ligand 0.66

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ KCNK3 O14649 20/20 0.66

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
SCHEMBL14784579 0.85 KCNK3 (0.74) KCNK3
SCHEMBL14785054 0.83 KCNK3 (0.68) KCNK3
SCHEMBL14784064 0.83 KCNK3 (0.67) KCNK3
SCHEMBL14784738 0.79 KCNK3 (1.00) KCNK3
SCHEMBL14784208 0.79 KCNK3 (0.88) KCNK3
SCHEMBL14784171 0.76 KCNK3 (1.00) KCNK3
SCHEMBL14784610 0.73 KCNK3 (0.79) KCNK3
SCHEMBL14784677 0.72 KCNK3 (0.79) KCNK3
SCHEMBL10799759 0.72 CREBBP (0.72) KCNK3
SCHEMBL14785030 0.72 KCNK3 (0.77) KCNK3

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2013037914-A1 SUBSTITUTED 4,5,6,7-TETRAHYDRO-1H-PYRAZOLO[4,3-C]PYRIDINES, THEIR USE AS MEDICAMENT, AND PHARMACEUTICAL PREPARATIONS COMPRISING THEM SANOFI (FR) 2013-03-21 — — WO claimed
WO-2013037914-A1 SUBSTITUTED 4,5,6,7-TETRAHYDRO-1H-PYRAZOLO[4,3-C]PYRIDINES, THEIR USE AS MEDICAMENT, AND PHARMACEUTICAL PREPARATIONS COMPRISING THEM SANOFI (FR) 2013-03-21 — — WO disclosed
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