SCHEMBL7973309

SCHEMBL7973309

O=C(COc1ccccc1)NC(Cc1ccccc1)C(=O)NNC(=O)c1ccccc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 1/20 0.65
GPR34 Q9UPC5 8/20 0.56
ALDH1A1 P00352 2/20 0.56
KMT2A Q03164 2/20 0.56
MEN1 O00255 1/20 0.56
LMNA P02545 1/20 0.56
PSMB5 P28074 1/20 0.55
KDM1A O60341 1/20 0.54
MAOA P21397 1/20 0.54
HDAC8 Q9BY41 3/20 0.53
HDAC3 O15379 1/20 0.53
HDAC4 P56524 1/20 0.53
HDAC1 Q13547 1/20 0.53
HDAC7 Q8WUI4 1/20 0.53
HDAC2 Q92769 1/20 0.53
HDAC10 Q969S8 1/20 0.53
HDAC11 Q96DB2 1/20 0.53
HDAC6 Q9UBN7 1/20 0.53
HDAC9 Q9UKV0 1/20 0.53
HDAC5 Q9UQL6 1/20 0.53

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
SCHEMBL7969746 0.91 HDAC8 (0.66) TACR1GPR34ALDH1A1KMT2AMEN1
SCHEMBL7972845 0.89 CYP3A4 (0.57) TACR1GPR34KMT2AMEN1GPR132
SCHEMBL7973319 0.84 HDAC8 (0.58) GPR34ALDH1A1KMT2AMEN1LMNA
SCHEMBL3562537 0.83 HDAC8 (0.61) GPR34ALDH1A1KMT2AMEN1LMNA
SCHEMBL12694145 0.83 HDAC8 (0.61) GPR34ALDH1A1KMT2AMEN1LMNA
SCHEMBL12694131 0.82 GPR34 (0.61) GPR34ALDH1A1KMT2AMEN1LMNA
SCHEMBL7976180 0.82 GAA (0.57) ALDH1A1KMT2AMEN1HDAC8HDAC3
SCHEMBL29430273 0.82 PYGL (0.55) CTSL
SCHEMBL7960063 0.82 PYGL (0.55) CTSL
SCHEMBL10727176 0.82 GPR34 (0.73) GPR34ALDH1A1KMT2AMEN1LMNA

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