SCHEMBL4029010

SCHEMBL4029010

CN1CCC(C(=O)Nc2ccc(C3CN(C)Cc4c(Cl)cc(Cl)cc43)cc2)CC1

nearest known ligand 0.54

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
SLC9A3 P48764 11/20 0.49

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
SCHEMBL4033105 0.95 SLC9A3 (0.51) SLC9A3
SCHEMBL4032563 0.93 SLC9A3 (0.50) SLC9A3
SCHEMBL4026092 0.93 SLC9A3 (0.50) SLC9A3
SCHEMBL4027673 0.92 SLC9A3 (0.49) SLC9A3
SCHEMBL4038411 0.91 L3MBTL1 (0.59) SLC9A3
SCHEMBL4031065 0.89 SLC9A3 (0.62) SLC9A3
SCHEMBL4032343 0.85 SLC9A3 (0.49) SLC9A3
SCHEMBL4031638 0.85 SLC9A3 (0.56) SLC9A3
SCHEMBL2576031 0.85 SLC9A3 (0.54) SLC9A3
SCHEMBL4027890 0.85 SLC9A3 (0.51) 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 1 patent. 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