SCHEMBL4029992

SCHEMBL4029992

CN1Cc2c(Cl)cc(Cl)cc2C(c2cccc(NC(=O)N3CCCC3)c2)C1

nearest known ligand 0.63

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SLC9A3 P48764 14/20 0.63
MEN1 O00255 1/20 0.51
ALDH1A1 P00352 1/20 0.51
RECQL P46063 1/20 0.51
KMT2A Q03164 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51

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
SCHEMBL4031215 0.99 SLC9A3 (0.62) SLC9A3MEN1ALDH1A1RECQLKMT2A
SCHEMBL4032895 0.94 SLC9A3 (0.63) SLC9A3
SCHEMBL4026500 0.92 SLC9A3 (0.61) SLC9A3
SCHEMBL4031612 0.89 SLC9A3 (0.50) SLC9A3
SCHEMBL4034181 0.88 SLC9A3 (0.49) SLC9A3MEN1KMT2A
SCHEMBL4029095 0.87 ALDH1A1 (0.59) SLC9A3ALDH1A1
SCHEMBL4026043 0.87 SLC9A3 (0.66) SLC9A3
Cyclopropane SCHEMBL4034970 0.87 SLC9A3 (0.66) SLC9A3
Cyclopentane SCHEMBL4026133 0.87 SLC9A3 (0.66) SLC9A3
SCHEMBL4025508 0.87 SLC9A3 (0.68) 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