SCHEMBL7970018

SCHEMBL7970018

COc1ccc(CC(NC(=O)c2ccc3ccccc3c2)C(=O)NNc2ccccc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSL P07711 9/20 0.56
CTSS P25774 9/20 0.56
PTPN1 P18031 1/20 0.55
CTSK P43235 3/20 0.52
KDM4E B2RXH2 1/20 0.52
ALDH1A1 P00352 1/20 0.52
GAA P10253 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
NPC1 O15118 1/20 0.52
CASP3 P42574 1/20 0.52
RAB9A P51151 1/20 0.52
SENP7 Q9BQF6 1/20 0.52
HDAC3 O15379 2/20 0.52
HDAC4 P56524 2/20 0.52
HDAC1 Q13547 2/20 0.52
HDAC2 Q92769 2/20 0.52
HDAC8 Q9BY41 2/20 0.52
HDAC7 Q8WUI4 1/20 0.52
HDAC10 Q969S8 1/20 0.52
HDAC11 Q96DB2 1/20 0.52

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
SCHEMBL7978502 0.90 HDAC3 (0.56) CTSLCTSSCTSKHDAC3HDAC4
SCHEMBL8119279 0.84 HDAC8 (0.58) KDM4EALDH1A1GAASMN1; SMN2HDAC3
SCHEMBL7976449 0.81 USP30 (0.55) CTSLCTSSPTPN1KDM4EALDH1A1
SCHEMBL2105842 0.80 MMP9 (0.66) CTSLCTSSPTPN1CTSKGAA
SCHEMBL7975877 0.80 HDAC8 (0.63) PTPN1ALDH1A1NPC1HDAC3HDAC4
SCHEMBL7971077 0.80 MMP9 (0.53) KDM4EALDH1A1F2
SCHEMBL7970037 0.79 HDAC8 (0.65) CTSLCTSSCTSKALDH1A1HDAC3
SCHEMBL5921714 0.78 PTPN1 (0.83) PTPN1CA2
SCHEMBL5921719 0.78 PTPN1 (0.83) PTPN1CA2
SCHEMBL7973132 0.78 TACR1 (0.61) CTSLCTSSCTSKCTSBCA2

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