SCHEMBL4032072

SCHEMBL4032072

CN1Cc2c(Cl)cc(Cl)cc2C(c2cccc(NC(=O)OC3CCCN3)c2)C1

nearest known ligand 0.57

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
SLC9A3 P48764 14/20 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
SCHEMBL4025479 0.91 SLC9A3 (0.47) SLC9A3
SCHEMBL4035662 0.86 SLC9A3 (0.59) SLC9A3
SCHEMBL6500651 0.86 SLC9A3 (0.66) SLC9A3
SCHEMBL4026034 0.85 SLC9A3 (0.60) SLC9A3
Hydrochloric Acid SCHEMBL6497256 0.85 SLC9A3 (0.65) SLC9A3
SCHEMBL4025362 0.82 SLC9A3 (0.61) SLC9A3
SCHEMBL4027138 0.82 SLC9A3 (0.59) SLC9A3
SCHEMBL6501983 0.82 SLC9A3 (0.65) SLC9A3
SCHEMBL6496878 0.82 SLC9A3 (0.65) SLC9A3
Cyclopropane SCHEMBL4034970 0.82 SLC9A3 (0.66) 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