SCHEMBL5756042

SCHEMBL5756042

CN1Cc2c(Cl)cc(Cl)cc2C(c2ccc(NC([NH])=O)cc2)C1

nearest known ligand 0.58

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
SLC9A3 P48764 11/20 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
SCHEMBL2576031 0.90 SLC9A3 (0.54) SLC9A3
SCHEMBL4031638 0.90 SLC9A3 (0.56) SLC9A3
SCHEMBL23469864 0.89 SLC9A3 (0.55) SLC9A3
Hydrochloric Acid SCHEMBL4030085 0.89 SLC9A3 (0.53) SLC9A3
SCHEMBL5754064 0.88 SLC9A3 (0.67) SLC9A3
SCHEMBL4032353 0.88 SLC9A3 (0.55) SLC9A3
Cyclopentane SCHEMBL4029948 0.88 SLC9A3 (0.54) SLC9A3
Cyclopropane SCHEMBL4035772 0.88 SLC9A3 (0.54) SLC9A3
SCHEMBL4028506 0.88 SLC9A3 (0.54) SLC9A3
SCHEMBL6505232 0.88 SLC9A3 (0.54) SLC9A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2006521306-A 2006-09-21 JP claimed
EP-1613600-A1 SUBSTITUTED 4-PHENYLTETRAHYDROISOQUINOLINES, METHOD FOR THE PRODUCTION THEREOF, THE USE OF THE SAME AS MEDICAMENTS, AND MEDICAMENT CONTAINING SUCH COMPOUNDS Sanofi-Aventis Deutschland GmbH (DE) 2006-01-11 EP claimed
WO-2004085404-A1 SUBSTITUTED 4-PHENYLTETRAHYDROISOQUINOLINES, METHOD FOR THE PRODUCTION THEREOF, THE USE OF THE SAME AS MEDICAMENTS, AND MEDICAMENT CONTAINING SUCH COMPOUNDS SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2004-10-07 WO claimed
EP-1613600-A1 SUBSTITUTED 4-PHENYLTETRAHYDROISOQUINOLINES, METHOD FOR THE PRODUCTION THEREOF, THE USE OF THE SAME AS MEDICAMENTS, AND MEDICAMENT CONTAINING SUCH COMPOUNDS Sanofi-Aventis Deutschland GmbH (DE) 2006-01-11 EP disclosed
WO-2004085404-A1 SUBSTITUTED 4-PHENYLTETRAHYDROISOQUINOLINES, METHOD FOR THE PRODUCTION THEREOF, THE USE OF THE SAME AS MEDICAMENTS, AND MEDICAMENT CONTAINING SUCH COMPOUNDS SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2004-10-07 WO disclosed