SCHEMBL7971407

SCHEMBL7971407

O=C(NC(Cc1ccccc1)C(=O)O)c1cc2ccccc2[nH]1

nearest known ligand 0.79

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CCKAR P32238 4/20 0.79
CCKBR P32239 4/20 0.79
PYGL P06737 2/20 0.76
ALB P02768 1/20 0.73
IL2 P60568 1/20 0.73
CYP51A1 Q16850 1/20 0.67
PTGER4 P35408 1/20 0.66

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
SCHEMBL4300976 0.89 CCKAR (1.00) CCKARCCKBR
SCHEMBL29987768 0.89 CCKAR (1.00) CCKARCCKBR
SCHEMBL3996878 0.89 CCKAR (1.00) CCKARCCKBR
SCHEMBL3997648 0.89 CCKAR (1.00) CCKARCCKBR
SCHEMBL6165239 0.87 PYGL (0.78) CCKARCCKBRPYGLALBIL2
SCHEMBL6160275 0.87 PYGL (0.78) CCKARCCKBRPYGLALBIL2
SCHEMBL6162503 0.87 PYGL (1.00) PYGLCYP51A1
SCHEMBL6163466 0.87 PYGL (0.76) CCKARCCKBRPYGL
SCHEMBL6163462 0.87 PYGL (0.76) CCKARCCKBRPYGL
SCHEMBL7969775 0.85 PYGL (0.66) CCKARCCKBRPYGLALBIL2

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
US-6271247-B1 BINDING TO NEUROPEPTIDE RECEPTORS ADIR ET COMPAGNIE (FR) 2001-08-07 US disclosed
US-6172108-B1 NEUROPEPTIDE Y RECEPTOR LIGANDS; TREATING PSYCHOLOGICAL, EATING, SLEEP, AND SEXUAL DISORDERS; HYPOTENSIVE, ANXIOLYTIC, ANTIDEPRESSANT, AND ANTIDIABETIC AGENTS ADIR ET COMPAGNIE (FR) 2001-01-09 US disclosed
CN-1260345-A Hydrazide compound, its preparing method and medicine compositions thereof ADIR ET COMPANGIE (FR) 2000-07-19 CN disclosed