SCHEMBL3454769

SCHEMBL3454769

CN(C)Nc1c[c]ccc1

nearest known ligand 0.32

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
KCNH3 Q9ULD8 1/20 0.31

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
SCHEMBL60383 0.75
SCHEMBL7090460 0.74 HSD17B10 (0.43)
SCHEMBL1419142 0.72 TSHR (0.50)
SCHEMBL29014499 0.72
SCHEMBL11298449 0.71
SCHEMBL3608945 0.71
SCHEMBL789015 0.71 HPGD (0.50)
SCHEMBL3707096 0.71 CYP2C19 (0.41)
SCHEMBL54929 0.71 TSHR (0.48) KCNH3
SCHEMBL11281766 0.70

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
EP-2239057-B1 Asymmetric catalyst and process for preparing optically active alcohols using the same KANTO KAGAKU (JP) 2015-06-03 EP disclosed
EP-2239057-A1 Asymmetric catalyst and process for preparing optically active alcohols using the same Kanto Kagaku Kabushiki Kaisha (JP) 2010-10-13 EP disclosed