SCHEMBL2641573

SCHEMBL2641573

CC(=O)N1CCc2ccc(N(Cc3ccc(Cl)cc3)S(=O)(=O)c3ccn(C)n3)cc21.Cn1ccc(S(=O)(=O)O)n1

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 2/20 0.44
LMNA P02545 2/20 0.41
THRB P10828 1/20 0.41
NPY2R P49146 9/20 0.40
POLB P06746 1/20 0.38
MAPT P10636 1/20 0.38
GAA P10253 2/20 0.38
DRD2 P14416 2/20 0.37
DRD4 P21917 2/20 0.37
ALDH1A1 P00352 1/20 0.37

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
SCHEMBL1949371 0.97 NOTUM (0.47) NOTUMLMNATHRBNPY2RPOLB
SCHEMBL1950702 0.92 NOTUM (0.47) NOTUMLMNATHRBPOLBMAPT
SCHEMBL1948520 0.86 ALDH1A1 (0.36) NOTUMTHRBNPY2RGAADRD2
SCHEMBL1947007 0.86 DRD2 (0.40) NOTUMLMNAGAADRD2DRD4
SCHEMBL1950696 0.85 DRD2 (0.39) NOTUMLMNATHRBPOLBMAPT
SCHEMBL1951599 0.81 DRD2 (0.40) NOTUMLMNATHRBGAADRD2
SCHEMBL1950166 0.81 PTPN11 (0.43) LMNATHRBPOLBMAPTGAA
SCHEMBL1949755 0.81 DRD4 (0.43) NOTUMLMNATHRBPOLBMAPT
SCHEMBL1950714 0.80 DRD2 (0.42) LMNATHRBPOLBMAPTGAA
SCHEMBL1948760 0.78 CNR2 (0.36) LMNAPOLBGAAALDH1A1

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-2438055-A1 DIHYDROINDOLE AND TETRAHYDROISOQUINOLINE DERIVATIVES USEFUL AS POTASSIUM CHANNEL INHIBITORS Xention Limited (GB) 2012-04-11 EP disclosed
WO-2010139967-A1 DIHYDROINDOLE AND TETRAHYDROISOQUINOLINE DERIVATIVES USEFUL AS POTASSIUM CHANNEL INHIBITORS XENTION LIMITED (GB) 2010-12-09 WO disclosed