SCHEMBL7973349

SCHEMBL7973349

O=C(NNC(=O)C1CCC(CNS(=O)(=O)c2ccccc2)CC1)c1cccnc1

nearest known ligand 0.63

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 5/20 0.63
CYP3A4 P08684 1/20 0.57
ALDH1A1 P00352 3/20 0.56
PKM P14618 1/20 0.56
MEN1 O00255 6/20 0.54
KMT2A Q03164 6/20 0.54
POLB P06746 2/20 0.54
HTT P42858 1/20 0.54
GBA1 P04062 1/20 0.53
PTGS2 P35354 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.51

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
SCHEMBL7971400 0.89 NPY5R (0.72) NPY5RALDH1A1MEN1KMT2APOLB
SCHEMBL7973031 0.89 HDAC3 (0.64) NPY5RALDH1A1PKMHTT
SCHEMBL7960188 0.84 ALDH1A1 (0.56) NPY5RALDH1A1PKMMEN1KMT2A
SCHEMBL3851599 0.82 NPY5R (0.68) NPY5RALDH1A1MEN1KMT2APOLB
SCHEMBL2139442 0.82 ALDH1A1 (0.53) NPY5RALDH1A1PKMMEN1KMT2A
SCHEMBL2139445 0.82 ALDH1A1 (0.53) NPY5RALDH1A1PKMMEN1KMT2A
SCHEMBL7960267 0.78 HDAC3 (0.73) NPY5RMEN1KMT2APOLB
SCHEMBL7960086 0.76 NPY5R (0.56) NPY5RALDH1A1POLB
SCHEMBL3851236 0.75 GBA1 (0.79) NPY5RALDH1A1PKMMEN1KMT2A
SCHEMBL5205575 0.75 GBA1 (0.79) NPY5RALDH1A1PKMMEN1KMT2A

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