SCHEMBL4026947

SCHEMBL4026947

CN(C)CCN(C(=O)O)c1cccc(C2CN(C)Cc3c(Cl)cc(Cl)cc32)c1

nearest known ligand 0.56

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
SLC9A3 P48764 19/20 0.56

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
SCHEMBL4028993 0.90 SLC9A3 (0.50) SLC9A3
SCHEMBL5631776 0.89 SLC9A3 (0.59) SLC9A3
SCHEMBL5631675 0.89 SLC9A3 (0.59) SLC9A3
SCHEMBL4032020 0.87 SLC9A3 (0.56) SLC9A3
SCHEMBL4030117 0.83 SLC9A3 (0.47) SLC9A3
SCHEMBL4034362 0.83 SLC9A3 (0.57) SLC9A3
SCHEMBL4031050 0.82 SLC9A3 (0.56) SLC9A3
SCHEMBL4033077 0.82 SLC9A3 (0.59) SLC9A3
SCHEMBL4026260 0.81 SLC9A3 (0.58) SLC9A3
SCHEMBL4035712 0.80 SLC9A3 (0.62) 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