SCHEMBL7960086

SCHEMBL7960086

O=C(NNC(=O)C1CCC(CNS(=O)(=O)c2cccc3ncccc23)CC1)c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 6/20 0.56
NPSR1 Q6W5P4 1/20 0.47
NPY1R P25929 2/20 0.47
ALDH1A1 P00352 5/20 0.47
HPGD P15428 4/20 0.47
TSHR P16473 1/20 0.47
POLB P06746 2/20 0.46
MAPT P10636 2/20 0.46
RECQL P46063 1/20 0.46
KDM4E B2RXH2 1/20 0.46
AQP1 P29972 2/20 0.46
ADRA2A P08913 1/20 0.46
NPY2R P49146 1/20 0.46
NPY4R P50391 1/20 0.46
MCHR1 Q99705 1/20 0.46
TDP1 Q9NUW8 1/20 0.46

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
SCHEMBL7698110 0.83 NPY5R (0.50) NPY5RALDH1A1HPGDTSHRPOLB
SCHEMBL7973287 0.81 NPY5R (0.48) NPY5RNPSR1POLB
SCHEMBL7971400 0.79 NPY5R (0.72) NPY5RALDH1A1POLB
SCHEMBL7973349 0.76 NPY5R (0.63) NPY5RALDH1A1POLB
SCHEMBL23293721 0.75 JAK1 (0.46) ALDH1A1TSHRMAPT
SCHEMBL7960267 0.73 HDAC3 (0.73) NPY5RNPY1RPOLB
SCHEMBL29877086 0.73 HDAC3 (0.73) NPY5RNPY1RPOLB
SCHEMBL3851599 0.72 NPY5R (0.68) NPY5RALDH1A1HPGDPOLBMAPT
SCHEMBL8888802 0.71 NPY5R (0.64) NPY5RNPSR1NPY1RALDH1A1HPGD
SCHEMBL2139442 0.71 ALDH1A1 (0.53) NPY5RALDH1A1HPGDMAPT

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1062205-A2 INHIBITORS OF PHOSPHOLIPASE ENZYMES GENETICS INSTITUTE, INC. (US) 2000-12-27 EP claimed
WO-1999043654-A2 INHIBITORS OF PHOSPHOLIPASE ENZYMES GENETICS INSTITUTE, INC. (US) 1999-09-02 WO claimed
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