SCHEMBL18323271

SCHEMBL18323271

CCCN(CCC)C(=O)COC(=O)COc1ccc(CC)cc1

nearest known ligand 0.62

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TRPM8 Q7Z2W7 2/20 0.48
RXFP1 Q9HBX9 1/20 0.47
GAA P10253 2/20 0.47
NPSR1 Q6W5P4 1/20 0.47
CYP1A2 P05177 2/20 0.46
HTT P42858 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C19 P33261 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
POLB P06746 1/20 0.43
BLM P54132 1/20 0.43
PMP22 Q01453 1/20 0.43
MAPT P10636 1/20 0.43

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
SCHEMBL5202817 0.82 GAA (0.66) RXFP1GAANPSR1CYP1A2SMN1; SMN2
SCHEMBL6538738 0.77 POLB (0.51) TRPM8SMN1; SMN2POLB
SCHEMBL5748928 0.74 PTGS2 (0.55) CYP1A2CYP2C19SMN1; SMN2POLBMAPT
SCHEMBL11817150 0.74 PPARA (0.63) GAANPSR1MAPT
SCHEMBL14518119 0.72 MAPT (0.61) SMN1; SMN2POLBMAPT
SCHEMBL12869146 0.72 PPARA (0.69) GAANPSR1
SCHEMBL6538743 0.72 NPC1 (0.52) TRPM8SMN1; SMN2POLBMAPT
SCHEMBL4477658 0.72 SMN1; SMN2 (0.63) TRPM8GAAHTTSMN1; SMN2
SCHEMBL15922116 0.71 PPARA (0.71) GAANPSR1CYP3A4SMN1; SMN2
SCHEMBL28405319 0.71 PPARA (0.71) GAANPSR1CYP3A4SMN1; SMN2

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
US-9522149-B2 Pyrazine derivatives as ENaC blockers NOVARTIS AG (CH) 2016-12-20 US disclosed
US-9522149-B2 Pyrazine derivatives as ENaC blockers NOVARTIS AG (CH) 2016-12-20 US disclosed