SCHEMBL6213554

SCHEMBL6213554

NC(=O)Oc1ccc2occ(CCNC(=O)c3ccco3)c2c1

nearest known ligand 0.72

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NQO2 P16083 4/20 0.72
MTNR1A P48039 15/20 0.53
MTNR1B P49286 5/20 0.53
HPGD P15428 1/20 0.50
MAPK1 P28482 1/20 0.50
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48

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
SCHEMBL6214995 0.85 NQO2 (0.63) NQO2MTNR1AMTNR1B
SCHEMBL5340850 0.84 NQO2 (1.00) NQO2MTNR1AMTNR1BMAPK1NPC1
SCHEMBL5349376 0.84 NQO2 (0.76) NQO2MTNR1AMTNR1BHPGDMAPK1
SCHEMBL5341459 0.82 NQO2 (0.74) NQO2MTNR1AMTNR1BHPGDMAPK1
SCHEMBL7833216 0.81 NQO2 (0.82) NQO2MTNR1AMTNR1BMAPK1NPC1
SCHEMBL6214122 0.81 MTNR1A (0.67) NQO2MTNR1AMTNR1B
SCHEMBL5342615 0.80 NQO2 (0.77) NQO2MTNR1AMTNR1BHPGDMAPK1
SCHEMBL6219245 0.79 NQO2 (0.63) NQO2MTNR1AMTNR1BHPGDMAPK1
SCHEMBL5340996 0.78 NQO2 (1.00) NQO2MTNR1AMTNR1BHPGDMAPK1
SCHEMBL5340606 0.78 NQO2 (0.61) NQO2MTNR1AMTNR1BHPGDMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1077928-B1 NOVEL SUBSTITUTED CYCLIC COMPOUNDS, PREPARATION METHOD AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SERVIER LAB (FR) 2005-12-07 EP claimed
EP-1077928-A1 NOVEL SUBSTITUTED CYCLIC COMPOUNDS, PREPARATION METHOD AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM ADIR ET COMPAGNIE (FR) 2001-02-28 EP claimed
WO-1999058496-A1 NOVEL SUBSTITUTED CYCLIC COMPOUNDS, PREPARATION METHOD AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM ADIR ET COMPAGNIE (FR) 1999-11-18 WO claimed
EP-1077928-B1 NOVEL SUBSTITUTED CYCLIC COMPOUNDS, PREPARATION METHOD AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SERVIER LAB (FR) 2005-12-07 EP disclosed
EP-1077928-A1 NOVEL SUBSTITUTED CYCLIC COMPOUNDS, PREPARATION METHOD AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM ADIR ET COMPAGNIE (FR) 2001-02-28 EP disclosed
WO-1999058496-A1 NOVEL SUBSTITUTED CYCLIC COMPOUNDS, PREPARATION METHOD AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM ADIR ET COMPAGNIE (FR) 1999-11-18 WO disclosed