SCHEMBL7973291

SCHEMBL7973291

O=C(NNC(=O)c1ccc(CNS(=O)(=O)c2ccc(Br)cc2)cc1)c1ccccc1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 5/20 0.65
GRIN1 Q05586 1/20 0.64
GRIN2A Q12879 1/20 0.64
GRIN2B Q13224 1/20 0.64
MAPT P10636 2/20 0.62
ALDH1A1 P00352 2/20 0.62
KMT2A Q03164 1/20 0.61
OPRM1 P35372 2/20 0.61
CXCR4 P61073 1/20 0.58
HDAC8 Q9BY41 2/20 0.56
HDAC6 Q9UBN7 2/20 0.56
HDAC3 O15379 1/20 0.56
CYP19A1 P11511 1/20 0.56
GAA P10253 1/20 0.55
CA12 O43570 1/20 0.55
CA9 Q16790 1/20 0.55
HDAC2 Q92769 1/20 0.54
LMNA P02545 2/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
HTT P42858 1/20 0.54

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
SCHEMBL7970997 0.90 CXCR4 (0.69) OPRK1GRIN1GRIN2AGRIN2BMAPT
SCHEMBL1049418 0.85 TSHR (0.68) OPRK1MAPTALDH1A1KMT2AOPRM1
SCHEMBL2831966 0.83 CYP19A1 (0.78) OPRK1ALDH1A1CYP19A1CA12CA9
SCHEMBL5960098 0.83 KEAP1 (0.76) OPRK1MAPTALDH1A1CXCR4CYP19A1
SCHEMBL4927135 0.80 HDAC6 (0.68) OPRK1MAPTCXCR4HDAC8HDAC6
SCHEMBL19358860 0.79 CXCR4 (0.82) OPRK1MAPTALDH1A1OPRM1CXCR4
SCHEMBL30254760 0.79 CXCR4 (0.78) OPRK1MAPTALDH1A1CXCR4HDAC8
SCHEMBL6352806 0.79 MEN1 (0.61) OPRK1MAPTALDH1A1KMT2AOPRM1
SCHEMBL15348918 0.78 GRIN1 (1.00) GRIN1GRIN2AGRIN2BMAPTKMT2A
SCHEMBL29557264 0.78 GRIN1 (1.00) GRIN1GRIN2AGRIN2BMAPTKMT2A

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