SCHEMBL4598274

SCHEMBL4598274

COC(c1ccc(Br)cc1)C1CC1

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 2/20 0.47
IDO1 P14902 2/20 0.41
SLC6A2 P23975 1/20 0.40
PPARG P37231 1/20 0.38
PPARD Q03181 1/20 0.38
PPARA Q07869 1/20 0.38
FPR2 P25090 2/20 0.36
PROKR1 Q8TCW9 2/20 0.36
POLB P06746 1/20 0.36

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
SCHEMBL16979030 0.82 SLC6A4 (0.49) SLC6A4IDO1SLC6A2PPARGPPARD
SCHEMBL744402 0.80 SLC6A4 (0.47) SLC6A4IDO1SLC6A2FPR2PROKR1
SCHEMBL11248115 0.80 SLC6A4 (0.47) SLC6A4IDO1SLC6A2FPR2PROKR1
SCHEMBL19144912 0.79 IDO1 (0.64) SLC6A4IDO1SLC6A2FPR2PROKR1
Iodide SCHEMBL744206 0.78 SLC6A4 (0.46) SLC6A4IDO1SLC6A2FPR2PROKR1
SCHEMBL3137822 0.77 EPHX1 (0.53) SLC6A4IDO1SLC6A2FPR2PROKR1
SCHEMBL18253202 0.77 SLC6A4 (0.45) SLC6A4IDO1SLC6A2FPR2PROKR1
SCHEMBL2761538 0.77 IDO1 (0.36) IDO1FPR2PROKR1POLB
SCHEMBL6347241 0.76 SLC6A4 (0.43) SLC6A4IDO1SLC6A2FPR2PROKR1
SCHEMBL14992303 0.73 CHRNB2 (0.34) SLC6A4SLC6A2

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-1908471-A1 Tetrahydropyridines as renin inhibitors Speedel Experimenta AG (CH) 2008-04-09 EP disclosed