SCHEMBL4026034

SCHEMBL4026034

CN1CCC(OC(=O)Nc2cccc(C3CN(C)Cc4c(Cl)cc(Cl)cc43)c2)CC1

nearest known ligand 0.60

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
SLC9A3 P48764 14/20 0.60

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
SCHEMBL4027138 0.93 SLC9A3 (0.59) SLC9A3
SCHEMBL4029470 0.92 SLC9A3 (0.55) SLC9A3
SCHEMBL4032343 0.90 SLC9A3 (0.49) SLC9A3
SCHEMBL6500651 0.88 SLC9A3 (0.66) SLC9A3
Hydrochloric Acid SCHEMBL6497256 0.87 SLC9A3 (0.65) SLC9A3
SCHEMBL4035146 0.86 SLC9A3 (0.61) SLC9A3
SCHEMBL4031065 0.86 SLC9A3 (0.62) SLC9A3
SCHEMBL4032072 0.85 SLC9A3 (0.57) SLC9A3
SCHEMBL5754064 0.85 SLC9A3 (0.67) SLC9A3
SCHEMBL4025362 0.85 SLC9A3 (0.61) 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1453810-B1 SUBSTITUTED 4-PHENYLTETRAHYDROISOQUINOLINES, METHOD FOR THE PRODUCTION THEREOF, THE USE THEREOF AS MEDICAMENTS, IN ADDITION TO A MEDICAMENT CONTAINING SAME SANOFI AVENTIS DEUTSCHLAND (DE) 2009-03-18 EP claimed
EP-1453810-A1 SUBSTITUTED 4-PHENYLTETRAHYDROISOQUINOLINES, METHOD FOR THE PRODUCTION THEREOF, THE USE THEREOF AS MEDICAMENTS, IN ADDITION TO A MEDICAMENT CONTAINING SAME Aventis Pharma Deutschland GmbH (DE) 2004-09-08 EP claimed
WO-2003048129-A1 SUBSTITUTED 4-PHENYLTETRAHYDROISOQUINOLINES, METHOD FOR THE PRODUCTION THEREOF, THE USE THEREOF AS MEDICAMENTS, IN ADDITION TO A MEDICAMENT CONTAINING SAME AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2003-06-12 WO claimed
EP-1453810-B1 SUBSTITUTED 4-PHENYLTETRAHYDROISOQUINOLINES, METHOD FOR THE PRODUCTION THEREOF, THE USE THEREOF AS MEDICAMENTS, IN ADDITION TO A MEDICAMENT CONTAINING SAME SANOFI AVENTIS DEUTSCHLAND (DE) 2009-03-18 EP disclosed
EP-1453810-A1 SUBSTITUTED 4-PHENYLTETRAHYDROISOQUINOLINES, METHOD FOR THE PRODUCTION THEREOF, THE USE THEREOF AS MEDICAMENTS, IN ADDITION TO A MEDICAMENT CONTAINING SAME Aventis Pharma Deutschland GmbH (DE) 2004-09-08 EP disclosed
WO-2003048129-A1 SUBSTITUTED 4-PHENYLTETRAHYDROISOQUINOLINES, METHOD FOR THE PRODUCTION THEREOF, THE USE THEREOF AS MEDICAMENTS, IN ADDITION TO A MEDICAMENT CONTAINING SAME AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2003-06-12 WO disclosed