SCHEMBL4209668

SCHEMBL4209668

CCNC(=O)Nc1ccccc1[C@@H]1CN(C)Cc2c(Cl)cc(Cl)cc21

nearest known ligand 0.49

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
SLC9A3 P48764 14/20 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
SCHEMBL4034990 1.00 SLC9A3 (0.49) SLC9A3
SCHEMBL4034842 1.00 SLC9A3 (0.49) SLC9A3
Hydrochloric Acid SCHEMBL6506942 0.99 SLC9A3 (0.49) SLC9A3
SCHEMBL5628544 0.90 SLC9A3 (0.56) SLC9A3
SCHEMBL5628174 0.90 SLC9A3 (0.56) SLC9A3
SCHEMBL979833 0.90 SLC9A3 (0.51) SLC9A3
SCHEMBL979831 0.90 SLC9A3 (0.51) SLC9A3
SCHEMBL5628072 0.90 SLC9A3 (0.56) SLC9A3
Hydrochloric Acid SCHEMBL5628573 0.89 SLC9A3 (0.55) SLC9A3
SCHEMBL4027298 0.89 SLC9A3 (0.49) 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