SCHEMBL7973287

SCHEMBL7973287

CN(C)c1cccc2c(S(=O)(=O)NCC3CCC(C(=O)NNC(=O)c4ccccc4)CC3)cccc12

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 8/20 0.48
GBA1 P04062 2/20 0.48
HDAC4 P56524 1/20 0.44
HDAC10 Q969S8 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
HDAC5 Q9UQL6 1/20 0.44
POLB P06746 1/20 0.44
EPHX2 P34913 1/20 0.44
HTR4 Q13639 1/20 0.44
NPSR1 Q6W5P4 1/20 0.43
NSD2 O96028 1/20 0.43

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
SCHEMBL7960086 0.81 NPY5R (0.56) NPY5RPOLBNPSR1
SCHEMBL7971400 0.79 NPY5R (0.72) NPY5RGBA1POLB
SCHEMBL14606663 0.78 GBA1 (0.56) NPY5RGBA1HDAC4HDAC10HDAC6
SCHEMBL13797012 0.75 GBA1 (0.54) NPY5RGBA1HDAC4HDAC10HDAC6
SCHEMBL30632892 0.75 EPHX2 (0.59) GBA1HDAC4HDAC10HDAC6HDAC5
SCHEMBL3851599 0.74 NPY5R (0.68) NPY5RGBA1POLB
SCHEMBL7960267 0.73 HDAC3 (0.73) NPY5RHDAC4HDAC10HDAC6HDAC5
SCHEMBL29877086 0.73 HDAC3 (0.73) NPY5RHDAC4HDAC10HDAC6HDAC5
SCHEMBL8890437 0.73 NPY5R (0.63) NPY5RHDAC4HDAC10HDAC6HDAC5
SCHEMBL13794173 0.72 NPY5R (0.71) NPY5RGBA1NSD2

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