SCHEMBL19723920

SCHEMBL19723920

Nc1nnccc1C1CCCCC1

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TDO2 P48775 2/20 0.42
FEN1 P39748 9/20 0.36
CYP11B2 P19099 1/20 0.35
ALOX5AP P20292 5/20 0.34
BACE1 P56817 1/20 0.33
NOTUM Q6P988 1/20 0.33
NISCH Q9Y2I1 1/20 0.33
CYP2C19 P33261 1/20 0.33
DGAT1 O75907 1/20 0.33

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
SCHEMBL17714357 0.98 TDO2 (0.40) TDO2FEN1CYP11B2ALOX5APNOTUM
SCHEMBL28145355 0.94 FEN1 (0.37) TDO2FEN1ALOX5AP
SCHEMBL28146445 0.90 ALOX5AP (0.31) TDO2FEN1ALOX5AP
SCHEMBL30541520 0.81 HTR2C (0.41)
SCHEMBL31197270 0.80 IKBKB (0.43)
SCHEMBL30541401 0.79 HTR1D (0.43)
SCHEMBL2355698 0.78 CEL (0.37) TDO2CYP11B2NOTUMNISCHCYP2C19
SCHEMBL31542145 0.77 IKBKB (0.46)
SCHEMBL9600106 0.77 TDO2 (0.35) TDO2CYP11B2BACE1NOTUMCYP2C19
SCHEMBL18192194 0.75 NOS1 (0.33)

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3144300-B1 METHODS OF PRODUCING 4-CYCLOALKYLOXYBENZENESULFONAMIDES DAIICHI SANKYO CO LTD (JP) 2017-12-20 EP disclosed