SCHEMBL4031947

SCHEMBL4031947

CC(=O)N1CCC(OC(=O)Nc2ccccc2C2CN(C)Cc3c(Cl)cc(Cl)cc32)CC1

nearest known ligand 0.43

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SLC9A3 P48764 12/20 0.43
CHRM3 P20309 1/20 0.43
MAPK1 P28482 1/20 0.39
HSD17B10 Q99714 1/20 0.39

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
SCHEMBL4032064 0.87 SLC9A3 (0.44) SLC9A3
SCHEMBL4029193 0.85 SLC9A3 (0.47) SLC9A3
SCHEMBL4027138 0.85 SLC9A3 (0.59) SLC9A3
SCHEMBL5749556 0.81 SLC9A3 (0.49) SLC9A3
SCHEMBL4029110 0.81 SLC9A3 (0.45) SLC9A3
SCHEMBL4025313 0.81 SLC9A3 (0.45) SLC9A3
SCHEMBL4027298 0.80 SLC9A3 (0.49) SLC9A3
SCHEMBL4031741 0.80 SLC9A3 (0.44) SLC9A3
SCHEMBL4027669 0.80 SLC9A3 (0.47) SLC9A3HSD17B10
SCHEMBL4033206 0.80 SLC9A3 (0.47) SLC9A3MAPK1

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