SCHEMBL6985360

SCHEMBL6985360

CCCCOC(=O)N1CCN(c2ncc(C(=O)OCC)cn2)CC1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.48
OGA O60502 1/20 0.47
RAB9A P51151 1/20 0.46
HRH2 P25021 6/20 0.45
HRH1 P35367 6/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
LMNA P02545 2/20 0.45
POLB P06746 1/20 0.45
HTT P42858 1/20 0.45
PTPN11 Q06124 1/20 0.44
GAA P10253 2/20 0.44
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
HPGD P15428 2/20 0.44
ALDH1A1 P00352 2/20 0.44
P2RY12 Q9H244 1/20 0.43
KDM4E B2RXH2 2/20 0.43
TDP1 Q9NUW8 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
SCHEMBL6986404 0.88 POLB (0.48) MAPTRAB9AHRH2HRH1SMN1; SMN2
SCHEMBL12480371 0.82 GPR119 (0.56) MAPTOGAPTPN11
SCHEMBL30121712 0.80 MEN1 (0.45) MAPTHRH2HRH1SMN1; SMN2LMNA
SCHEMBL24881185 0.79 OGA (0.54) MAPTOGALMNAPOLBMEN1
SCHEMBL15038302 0.79 HDAC3 (0.56) MAPTOGALMNAPOLBHTT
SCHEMBL12952642 0.79 POLB (0.54) MAPTOGARAB9ASMN1; SMN2LMNA
SCHEMBL6984326 0.79 MAPT (0.57) MAPTOGARAB9ASMN1; SMN2LMNA
SCHEMBL20552861 0.78 OGA (0.53) MAPTOGALMNAPOLBMEN1
SCHEMBL25678417 0.78 MAPT (0.56) MAPTOGARAB9ASMN1; SMN2LMNA
SCHEMBL9482270 0.77 MAPT (0.51) MAPTRAB9ASMN1; SMN2LMNAHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1093367-A4 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORP (US) 2003-03-05 EP claimed
EP-1093367-A1 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2001-04-25 EP claimed
WO-1999066925-A1 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 1999-12-29 WO claimed