SCHEMBL7969775

SCHEMBL7969775

O=C(NC(Cc1ccccc1)C(=O)NNc1ccccc1)c1cc2ccccc2[nH]1

nearest known ligand 0.66

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PYGL P06737 6/20 0.66
CCKAR P32238 1/20 0.62
CCKBR P32239 1/20 0.62
CYP51A1 Q16850 1/20 0.59
PTGER4 P35408 1/20 0.56
ALB P02768 1/20 0.56
IL2 P60568 1/20 0.56

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
SCHEMBL7971407 0.85 CCKAR (0.79) PYGLCCKARCCKBRCYP51A1PTGER4
SCHEMBL7960095 0.81 PYGL (0.59) PYGLCCKARCCKBRCYP51A1PTGER4
SCHEMBL30877955 0.79 PYGL (0.56) PYGLCCKARCCKBRCYP51A1PTGER4
SCHEMBL27278554 0.79 PYGL (0.56) PYGLCCKARCCKBRCYP51A1PTGER4
SCHEMBL27278567 0.79 PYGL (0.61) PYGLCCKARCCKBRCYP51A1PTGER4
SCHEMBL30877973 0.79 PYGL (0.61) PYGLCCKARCCKBRCYP51A1PTGER4
SCHEMBL7978502 0.78 HDAC3 (0.56)
SCHEMBL7960063 0.78 PYGL (0.55) PYGLCCKARCCKBRCYP51A1PTGER4
SCHEMBL29430273 0.78 PYGL (0.55) PYGLCCKARCCKBRCYP51A1PTGER4
SCHEMBL14269102 0.77 PYGL (0.69) PYGLCCKARCCKBRCYP51A1

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
EP-1010691-A2 Hydrazide derivatives, process for their preparation and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 2000-06-21 EP disclosed