SCHEMBL7960063

SCHEMBL7960063

O=C(COc1ccccc1)NC(Cc1ccccc1)C(=O)NNC(=O)c1cc2ccccc2[nH]1

nearest known ligand 0.57

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PYGL P06737 4/20 0.55
CCKAR P32238 1/20 0.55
CCKBR P32239 1/20 0.55
PTGER4 P35408 1/20 0.50
CYP51A1 Q16850 1/20 0.50
CTSL P07711 1/20 0.49
CTSS P25774 1/20 0.49
CTSK P43235 1/20 0.49
PDGFRB P09619 1/20 0.48
PDGFRA P16234 1/20 0.48

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
SCHEMBL29430273 1.00 PYGL (0.55) PYGLCCKARCCKBRPTGER4CYP51A1
SCHEMBL7960095 0.83 PYGL (0.59) PYGLCCKARCCKBRPTGER4CYP51A1
SCHEMBL7973309 0.82 TACR1 (0.65) CTSL
SCHEMBL8121388 0.81 PYGL (0.55) PYGLCCKARCCKBRCTSLCTSS
SCHEMBL7984929 0.79 F2 (0.59) PYGLCCKARCCKBRPTGER4CTSL
SCHEMBL7969775 0.78 PYGL (0.66) PYGLCCKARCCKBRPTGER4CYP51A1
SCHEMBL7973319 0.76 HDAC8 (0.58) CTSL
SCHEMBL19299385 0.76 GAA (0.54)
SCHEMBL7971407 0.76 CCKAR (0.79) PYGLCCKARCCKBRPTGER4CYP51A1
SCHEMBL12694145 0.75 HDAC8 (0.61) CTSL

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