SCHEMBL3686534

SCHEMBL3686534

C#CCC(CC(C)I)NC(N)=O

nearest known ligand 0.33

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
GRIK1 P39086 2/20 0.33
GRIK2 Q13002 2/20 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
SCHEMBL464865 0.84 GRIK1 (0.33) GRIK1GRIK2
SCHEMBL9386582 0.81
SCHEMBL19361672 0.74
SCHEMBL27574600 0.71 SLC7A5 (0.41)
SCHEMBL26965381 0.69 ALDH1A1 (0.37) GRIK1GRIK2
SCHEMBL27122527 0.69 ALDH1A1 (0.37) GRIK1GRIK2
SCHEMBL228837 0.69 LMNA (0.34) GRIK1GRIK2
SCHEMBL1123322 0.66 GRIK1 (0.30) GRIK1GRIK2
SCHEMBL7130842 0.64 GRIK1 (0.41) GRIK1GRIK2
SCHEMBL5701797 0.64 GRIK1 (0.34) GRIK1GRIK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1994002451-A1 HALO ALKYNYL UREA DERIVATIVES, A METHOD FOR THEIR PRODUCTION AND FONGICIDAL COMPOSITIONS CONTAINING THEM TROY CHEMICAL CORPORATION (US) 1994-02-03 WO claimed
EP-1820397-B1 Microbicidal composition ROHM & HAAS (US) 2010-04-14 EP disclosed
WO-1994002451-A1 HALO ALKYNYL UREA DERIVATIVES, A METHOD FOR THEIR PRODUCTION AND FONGICIDAL COMPOSITIONS CONTAINING THEM TROY CHEMICAL CORPORATION (US) 1994-02-03 WO disclosed