SCHEMBL6986404

SCHEMBL6986404

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.47
LMNA P02545 1/20 0.47
HRH2 P25021 6/20 0.47
HRH1 P35367 6/20 0.47
MEN1 O00255 4/20 0.46
KMT2A Q03164 4/20 0.46
PTPN11 Q06124 1/20 0.43
RAB9A P51151 1/20 0.43
HDAC3 O15379 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
HTT P42858 1/20 0.41
OPRD1 P41143 1/20 0.41
OPRK1 P41145 1/20 0.41
HPGD P15428 2/20 0.40
GAA P10253 1/20 0.40
ALDH1A1 P00352 1/20 0.40

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
SCHEMBL6985360 0.88 MAPT (0.48) POLBSMN1; SMN2LMNAHRH2HRH1
SCHEMBL30121712 0.82 MEN1 (0.45) POLBSMN1; SMN2LMNAHRH2HRH1
SCHEMBL6984337 0.79 MEN1 (0.45) POLBSMN1; SMN2LMNAHRH2HRH1
SCHEMBL15344316 0.78 HDAC1 (0.55) POLBSMN1; SMN2HRH2HRH1MEN1
SCHEMBL3605523 0.76 GPR119 (0.59) POLBLMNAPTPN11ALDH1A1MAPT
SCHEMBL28615895 0.76 SMN1; SMN2 (0.48) POLBSMN1; SMN2LMNAHRH2HRH1
SCHEMBL9405372 0.76 POLB (0.73) POLBSMN1; SMN2LMNAHRH2HRH1
SCHEMBL29741845 0.75 HRH3 (0.53) POLBSMN1; SMN2LMNAHRH2HRH1
SCHEMBL1459682 0.75 MAPT (0.57) POLBSMN1; SMN2LMNAHRH2HRH1
SCHEMBL29891203 0.75 ME2 (0.40) POLBSMN1; SMN2LMNAHRH2HRH1

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