SCHEMBL686982

SCHEMBL686982

CC(C)C(N)C#N.CCC(C)(N)C#N

nearest known ligand 0.33

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 4/20 0.33

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
SCHEMBL1880617 0.80
Hydrochloric Acid SCHEMBL11251317 0.78
SCHEMBL4701947 0.75
SCHEMBL1370688 0.75
SCHEMBL2559993 0.75
Hydrochloric Acid SCHEMBL5567961 0.72
Hydrochloric Acid SCHEMBL5567748 0.72
SCHEMBL7787399 0.64
SCHEMBL16143351 0.64 TSHR (0.41)
SCHEMBL3289073 0.64 TSHR (0.41)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1730291-B1 NITRILE HYDRATASE OF RHODOCOCCUS EVONIK DEGUSSA GMBH (DE) 2012-12-05 EP disclosed
EP-1730177-B1 CYANIDE TOLERANT NITRILHYDRATASES EVONIK DEGUSSA GMBH (DE) 2012-02-29 EP disclosed
EP-1730177-A2 CYANIDE TOLERANT NITRILHYDRATASES Degussa GmbH (DE) 2006-12-13 EP disclosed
WO-2005090394-A2 CYANIDE TOLERANT NITRILHYDRATASES DEGUSSA AG (DE) 2005-09-29 WO disclosed