SCHEMBL14730825

SCHEMBL14730825

N[C@H]1CC[C@@H](NC(=O)c2nc[nH]n2)CC1

nearest known ligand 0.57

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
SMYD3 Q9H7B4 19/20 0.57
PBK Q96KB5 1/20 0.43

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
SCHEMBL10780705 0.85 SMN1; SMN2 (0.51)
SCHEMBL10778614 0.84 SMN1; SMN2 (0.50)
SCHEMBL21489688 0.79 SMYD3 (0.55) SMYD3PBK
SCHEMBL19701331 0.79 SMYD3 (0.55) SMYD3PBK
SCHEMBL19701413 0.74 SMYD3 (0.54) SMYD3
SCHEMBL19701412 0.74 SMYD3 (0.54) SMYD3
SCHEMBL23575904 0.73 SMYD3 (0.70) SMYD3PBK
SCHEMBL21490139 0.73 SMYD3 (1.00) SMYD3
SCHEMBL21489806 0.73 SMYD3 (0.55) SMYD3
SCHEMBL19710094 0.73 SMYD3 (1.00) SMYD3

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-2013026163-A1 HEPATITIS C INHIBITOR COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-02-28 WO disclosed