SCHEMBL2593261

SCHEMBL2593261

COC(=O)C1CCCCC1c1nc(C)no1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CPT2 P23786 1/20 0.48
CPT1A P50416 1/20 0.48
SLC6A2 P23975 2/20 0.43
SLC6A4 P31645 1/20 0.43
CHRM2 P08172 1/20 0.40
FABP4 P15090 3/20 0.37
FABP5 Q01469 3/20 0.37
DGAT2 Q96PD7 3/20 0.37
MGAT2 Q10469 1/20 0.37
EPHX2 P34913 1/20 0.36
OPRM1 P35372 2/20 0.36
OPRK1 P41145 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL17558298 0.84 DGAT2 (0.45) CPT2CPT1ACHRM2DGAT2MGAT2
SCHEMBL2595265 0.82 CHRM2 (0.40) CPT2CPT1ACHRM2FABP4FABP5
SCHEMBL9370592 0.76 CHRM2 (0.46) CPT2CPT1ACHRM2DGAT2MGAT2
SCHEMBL8871811 0.76 CHRM2 (0.55) CHRM2EPHX2
SCHEMBL2596230 0.75 SLC6A2 (0.44) CPT2CPT1ASLC6A2SLC6A4CHRM2
SCHEMBL2584012 0.74 EPHX2 (0.42) CHRM2EPHX2OPRM1OPRK1
SCHEMBL2584008 0.74 EPHX2 (0.42) CHRM2EPHX2OPRM1OPRK1
SCHEMBL2593264 0.72 SLC6A2 (0.41) CPT2CPT1ASLC6A2SLC6A4CHRM2
SCHEMBL2596235 0.71 SLC6A2 (0.46) CPT2CPT1ASLC6A2SLC6A4CHRM2
SCHEMBL18983754 0.69 CHRM2 (0.43) CHRM2DGAT2MGAT2EPHX2

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-2569319-A1 HETEROARYL-CYCLOHEXYL-TETRAAZABENZO[E]AZULENES F.HOFFMANN-LA ROCHE AG (CH) 2013-03-20 EP disclosed
WO-2011141396-A1 HETEROARYL-CYCLOHEXYL-TETRAAZABENZO[E]AZULENES F. HOFFMANN-LA ROCHE AG (CH) 2011-11-17 WO disclosed