SCHEMBL4029996

SCHEMBL4029996

CN1Cc2c(Cl)cc(Cl)cc2C(c2ccc(NC(=O)N3CCOCC3)cc2)C1

nearest known ligand 0.53

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SLC9A3 P48764 11/20 0.48
NPC1 O15118 1/20 0.47
RAB9A P51151 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
SCHEMBL4027890 0.91 SLC9A3 (0.51) SLC9A3
SCHEMBL4031612 0.91 SLC9A3 (0.50) SLC9A3
SCHEMBL4034181 0.90 SLC9A3 (0.49) SLC9A3NPC1RAB9A
SCHEMBL4026500 0.90 SLC9A3 (0.61) SLC9A3NPC1RAB9A
SCHEMBL4028653 0.89 SLC9A3 (0.46) SLC9A3
SCHEMBL4027757 0.86 SLC9A3 (0.48) SLC9A3
SCHEMBL4028650 0.86 SLC9A3 (0.50) SLC9A3
SCHEMBL4031999 0.84 SLC9A3 (0.45) SLC9A3RAB9A
SCHEMBL2576031 0.84 SLC9A3 (0.54) SLC9A3
SCHEMBL4031638 0.84 SLC9A3 (0.56) 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