SCHEMBL4034181

SCHEMBL4034181

CN1Cc2c(Cl)cc(Cl)cc2C(c2ccc(NC(=O)N3CCCCC3)cc2)C1

nearest known ligand 0.54

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SLC9A3 P48764 11/20 0.49
MEN1 O00255 1/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
KMT2A Q03164 1/20 0.47

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
SCHEMBL4031612 0.99 SLC9A3 (0.50) SLC9A3
SCHEMBL4027890 0.93 SLC9A3 (0.51) SLC9A3
SCHEMBL4029996 0.90 SLC9A3 (0.48) SLC9A3NPC1RAB9A
SCHEMBL4031215 0.89 SLC9A3 (0.62) SLC9A3MEN1KMT2A
SCHEMBL4029992 0.88 SLC9A3 (0.63) SLC9A3MEN1KMT2A
Cyclopentane SCHEMBL4029948 0.88 SLC9A3 (0.54) SLC9A3
SCHEMBL4028506 0.88 SLC9A3 (0.54) SLC9A3
Cyclopropane SCHEMBL4035772 0.88 SLC9A3 (0.54) SLC9A3
SCHEMBL4036229 0.86 ALDH1A1 (0.52) SLC9A3
SCHEMBL4036226 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 2 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-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