SCHEMBL1996942

SCHEMBL1996942

CC(C)(C)C1CC(c2nc(C=O)cs2)CCN1C(=O)O

nearest known ligand 0.32

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
SMYD3 Q9H7B4 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
SCHEMBL20718927 0.90 SMYD3 (0.30) SMYD3
SCHEMBL626857 0.88 SMYD3 (0.31) SMYD3
SCHEMBL626858 0.88 SMYD3 (0.31) SMYD3
SCHEMBL2593942 0.83 SMYD3 (0.33) SMYD3
SCHEMBL3431702 0.83 MTNR1A (0.34)
SCHEMBL1966094 0.83 MTNR1A (0.34)
SCHEMBL1966097 0.83 MTNR1A (0.34)
SCHEMBL1047470 0.82 GPR119 (0.37) SMYD3
SCHEMBL17351184 0.81 HCRTR2 (0.34) SMYD3
SCHEMBL1046058 0.81 GPR119 (0.35) 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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2670747-B1 HETEROARYL PIPERIDINE AND HETEROARYL PIPERAZINE DERIVATIVES AS FUNGICIDES BAYER CROPSCIENCE AG (DE) 2023-07-19 EP disclosed
EP-2563786-B1 Ketoheteroarylpiperidine and piperazine derivatives as fungicides BAYER IP GMBH (DE) 2016-11-02 EP disclosed
EP-2334669-B1 HETEROCYCLYL-SUBSTITUTED THIAZOLES AS PLANT PROTECTION AGENTS BAYER IP GMBH (DE) 2015-12-23 EP disclosed
EP-2516426-B1 BIS(DIFLUORMETHYL)PYRAZOLES USED AS FUNGICIDES BAYER CROPSCIENCE AG (DE) 2015-09-16 EP disclosed
EP-2563786-A1 KETOHETEROARYLPIPERIDINE AND KETOHETEROARYLPIPERAZINE DERIVATES AS FUNGICIDES Bayer CropScience AG (DE) 2013-03-06 EP disclosed
EP-2516426-A1 BIS(DIFLUORMETHYL)PYRAZOLES USED AS FUNGICIDES Bayer CropScience AG (DE) 2012-10-31 EP disclosed
WO-2011134969-A1 KETOHETEROARYLPIPERIDINE AND KETOHETEROARYLPIPERAZINE DERIVATES AS FUNGICIDES BAYER CROPSCIENCE AG (DE) 2011-11-03 WO disclosed
WO-2011076699-A1 BIS(DIFLUORMETHYL)PYRAZOLES USED AS FUNGICIDES BAYER CROPSCIENCE AG (DE) 2011-06-30 WO disclosed