SCHEMBL13746366

SCHEMBL13746366

CCc1nc2c([nH]1)CCOc1cc(Br)ccc1-2

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 1/20 0.41
PPARA Q07869 2/20 0.36
PTGES O14684 1/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
HTT P42858 1/20 0.34
BLM P54132 1/20 0.34
MAOB P27338 2/20 0.34
PIK3CA P42336 7/20 0.32
PIK3CB P42338 5/20 0.32
PIK3CG P48736 5/20 0.32
PIK3CD O00329 4/20 0.32
ADRA2A P08913 1/20 0.32
MAP3K5 Q99683 1/20 0.31
ESRRB O95718 1/20 0.31
ESRRA P11474 1/20 0.31
TYMS P04818 1/20 0.30

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
SCHEMBL13746942 0.77 NPY5R (0.39) NPY5RMAPTTYMS
SCHEMBL1484851 0.70 PIK3CA (0.46) LMNAMAPTHTTBLMPIK3CA
SCHEMBL16438129 0.69 NPY5R (0.46) NPY5RMAPTMAOBPIK3CAPIK3CB
SCHEMBL14743532 0.69 NPY5R (0.36) NPY5RPPARAMAOBPIK3CAPIK3CB
SCHEMBL14743237 0.68 NPY5R (0.36) NPY5RPPARAMAOBPIK3CAMAP3K5
SCHEMBL10182520 0.68 PPARA (0.37) NPY5RPPARAPIK3CAPIK3CBPIK3CG
SCHEMBL1484798 0.68 KDM4E (0.48) LMNAMAPTPIK3CAPIK3CBPIK3CG
SCHEMBL1484697 0.68 PIK3CA (0.47) PIK3CAPIK3CBPIK3CGPIK3CD
SCHEMBL10182368 0.67 KMT2A (0.40) PPARAPTGESLMNAMAPTHTT
SCHEMBL1484989 0.67 LMNA (0.38) PPARAPTGESLMNAMAPTHTT

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
WO-2009102633-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2009-08-20 WO disclosed