SCHEMBL4031185

SCHEMBL4031185

CN1CCN(C(=O)NCc2ccc(C3CN(C)Cc4c(Cl)cc(Cl)cc43)cc2)CC1

nearest known ligand 0.53

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SLC9A3 P48764 11/20 0.53
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50

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
SCHEMBL4032538 0.94 SLC9A3 (0.52) SLC9A3
SCHEMBL4036226 0.93 SLC9A3 (0.51) SLC9A3
SCHEMBL4028650 0.92 SLC9A3 (0.50) SLC9A3
SCHEMBL4031746 0.90 SLC9A3 (0.56) SLC9A3
SCHEMBL4027890 0.85 SLC9A3 (0.51) SLC9A3
SCHEMBL4032239 0.84 SLC9A3 (0.56) SLC9A3
SCHEMBL4029091 0.83 SLC9A3 (0.55) SLC9A3
SCHEMBL4032679 0.82 SLC9A3 (0.53) SLC9A3
SCHEMBL4031612 0.79 SLC9A3 (0.50) SLC9A3
SCHEMBL16473603 0.79 SLC9A3 (0.57) 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