SCHEMBL4028349

SCHEMBL4028349

CN1Cc2c(Cl)cc(Cl)cc2C(c2ccccc2NC(=O)N2CCCCC2)C1

nearest known ligand 0.46

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SLC9A3 P48764 13/20 0.46
MAPT P10636 1/20 0.44
SHMT2 P34897 1/20 0.42
PKM P14618 1/20 0.41
MAPK1 P28482 1/20 0.41

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
SCHEMBL4033206 0.99 SLC9A3 (0.47) SLC9A3MAPTPKMMAPK1
SCHEMBL4027669 0.93 SLC9A3 (0.47) SLC9A3
SCHEMBL4031999 0.90 SLC9A3 (0.45) SLC9A3MAPT
Cyclopropane SCHEMBL4031343 0.88 SLC9A3 (0.51) SLC9A3
SCHEMBL4035908 0.88 SLC9A3 (0.51) SLC9A3
Cyclopentane SCHEMBL4034441 0.88 SLC9A3 (0.51) SLC9A3
SCHEMBL4031741 0.86 SLC9A3 (0.44) SLC9A3
SCHEMBL5749556 0.85 SLC9A3 (0.49) SLC9A3
SCHEMBL4029110 0.85 SLC9A3 (0.45) SLC9A3
SCHEMBL4027298 0.84 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