SCHEMBL1870026

SCHEMBL1870026

COC(=O)C1=NC=C2N=CN=C2C1

nearest known ligand 0.31

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 5/20 0.31
TDP1 Q9NUW8 1/20 0.31
NPSR1 Q6W5P4 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
SCHEMBL2234667 0.78
SCHEMBL29053129 0.74 CA12 (0.33) TRPA1TDP1NPSR1
SCHEMBL3830377 0.73
SCHEMBL28281750 0.72 CHRM3 (0.38) TDP1NPSR1
SCHEMBL12726718 0.70 NPSR1 (0.35) TDP1NPSR1
SCHEMBL30850107 0.68 CHRM3 (0.33) NPSR1
SCHEMBL30104119 0.65 TSHR (0.33) TRPA1TDP1
SCHEMBL30564905 0.62 NPSR1 (0.34) TRPA1NPSR1
SCHEMBL12726713 0.60 KMT2A (0.36)
SCHEMBL6616930 0.59

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
CN-113227068-B GLP-1R agonists and uses thereof 上海齐鲁锐格医药研发有限公司 2023-06-13 CN disclosed
EP-2493871-A1 NOVEL OXIME DERIVATIVES AND THEIR USE AS ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS Domain Therapeutics (FR) 2012-09-05 EP disclosed
WO-2011051478-A1 NOVEL OXIME DERIVATIVES AND THEIR USE AS ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS DOMAIN THERAPEUTICS (FR) 2011-05-05 WO disclosed