SCHEMBL7973031

SCHEMBL7973031

O=C(NNC(=O)C1CCC(CNS(=O)(=O)c2ccc3ccccc3c2)CC1)c1cccnc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.64
HDAC4 P56524 1/20 0.64
HDAC1 Q13547 1/20 0.64
HDAC7 Q8WUI4 1/20 0.64
HDAC2 Q92769 1/20 0.64
HDAC10 Q969S8 1/20 0.64
HDAC11 Q96DB2 1/20 0.64
HDAC8 Q9BY41 1/20 0.64
HDAC6 Q9UBN7 1/20 0.64
HDAC9 Q9UKV0 1/20 0.64
HDAC5 Q9UQL6 1/20 0.64
LMNA P02545 1/20 0.61
SMN1; SMN2 Q16637 1/20 0.61
NPY5R Q15761 11/20 0.54
ALDH1A1 P00352 3/20 0.51
PKM P14618 1/20 0.51
HTT P42858 1/20 0.51
IDO1 P14902 1/20 0.51
ACACB O00763 1/20 0.50
F10 P00742 1/20 0.49

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
SCHEMBL7960267 0.90 HDAC3 (0.73) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL29877086 0.90 HDAC3 (0.73) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL7973349 0.89 NPY5R (0.63) NPY5RALDH1A1PKMHTT
SCHEMBL7960188 0.85 ALDH1A1 (0.56) LMNASMN1; SMN2NPY5RALDH1A1PKM
SCHEMBL2139445 0.79 ALDH1A1 (0.53) LMNANPY5RALDH1A1PKMHTT
SCHEMBL2139442 0.79 ALDH1A1 (0.53) LMNANPY5RALDH1A1PKMHTT
SCHEMBL7973192 0.79 HDAC3 (0.66) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL7971370 0.79 HDAC3 (0.74) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL7971400 0.78 NPY5R (0.72) NPY5RALDH1A1
SCHEMBL8208140 0.77 HDAC3 (0.78) HDAC3HDAC4HDAC1HDAC7HDAC2

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