SCHEMBL7970027

SCHEMBL7970027

O=C(NC(Cc1ccccc1)C(=O)NNc1ccccc1)OCc1ccccc1

nearest known ligand 0.70

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 2/20 0.70
CTSL P07711 3/20 0.65
CTSB P07858 2/20 0.65
CTSS P25774 1/20 0.65
CTSK P43235 1/20 0.65
HDAC8 Q9BY41 2/20 0.62
HDAC3 O15379 1/20 0.62
HDAC4 P56524 1/20 0.62
HDAC1 Q13547 1/20 0.62
HDAC2 Q92769 1/20 0.62
KDM1A O60341 3/20 0.57
MAOA P21397 2/20 0.57
KDM1B Q8NB78 1/20 0.57
RCOR1 Q9UKL0 1/20 0.57
ALDH1A1 P00352 1/20 0.57
ALOX15 P16050 1/20 0.57

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
SCHEMBL7970037 0.91 HDAC8 (0.65) TACR1CTSLCTSBCTSSCTSK
SCHEMBL7370634 0.88 HDAC8 (0.73) TACR1CTSLCTSBCTSSCTSK
SCHEMBL15627733 0.86 CTSL (0.72) TACR1CTSLCTSBCTSSCTSK
SCHEMBL805151 0.86 CTSL (0.72) TACR1CTSLCTSBCTSSCTSK
SCHEMBL4655258 0.86 TACR1 (0.78) TACR1CTSLCTSBCTSSCTSK
SCHEMBL8114770 0.84 HDAC3 (0.69) TACR1CTSSCTSKHDAC8HDAC3
SCHEMBL10049956 0.83 TACR1 (0.70) TACR1CTSLCTSBCTSSCTSK
SCHEMBL8668091 0.83 TACR1 (0.70) TACR1CTSLCTSBCTSSCTSK
SCHEMBL12052836 0.83 TACR1 (0.70) TACR1CTSLCTSBCTSSCTSK
SCHEMBL16095807 0.83 TACR1 (0.70) TACR1CTSLCTSBCTSSCTSK

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
CN-1260345-A Hydrazide compound, its preparing method and medicine compositions thereof ADIR ET COMPANGIE (FR) 2000-07-19 CN disclosed