SCHEMBL5741979

SCHEMBL5741979

O=C1NCCN(C(=O)O)C1c1nc(-c2cccc(Cl)c2)no1

nearest known ligand 0.52

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 17/20 0.52
HCRTR1 O43613 1/20 0.49
HCRTR2 O43614 1/20 0.49

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
SCHEMBL4335380 0.86 GRM5 (0.49) GRM5HCRTR1HCRTR2
SCHEMBL28780313 0.76 GRM5 (0.80) GRM5HCRTR1HCRTR2
SCHEMBL4027232 0.71 KMT2A (0.47)
SCHEMBL8244818 0.69 NR1H4 (0.67) GRM5
SCHEMBL5333513 0.69 GRM5 (0.94) GRM5
SCHEMBL8242428 0.69 GRM5 (0.98) GRM5
SCHEMBL5310857 0.68 GRM5 (0.94) GRM5
SCHEMBL5306538 0.68 GRM5 (1.00) GRM5
SCHEMBL5327585 0.68 GRM5 (0.75) GRM5HCRTR1HCRTR2
Hydrochloric Acid SCHEMBL5331967 0.68 NR1H4 (0.65) GRM5

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-1716152-A2 FUSED HETROCYCLIC COMPOUNDS AND THEIR USE AS METABOTROPIC RECEPTOR ANTAGONISTS FOR THE TREATMENT OF GASTROINTESTINAL DISORDERS AstraZeneca AB (SE) 2006-11-02 EP disclosed
WO-2005080397-A2 FUSED HETROCYCLIC COMPOUNDS AND THEIR USE AS METABOTROPIC RECEPTOR ANTAGONISTS FOR THE TREATMENT OF GASTROINTESTINAL DISORDERS ASTRAZENECA AB (SE) 2005-09-01 WO disclosed