SCHEMBL6217307

SCHEMBL6217307

CCCC[C@@H]1CC[C@H](NC(=O)[C@@H](N)CC2CCCCC2)[C@H](O)CN1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 4/20 0.42
REN P00797 5/20 0.40
GLB1 P16278 1/20 0.38
ALDH1A1 P00352 1/20 0.36
KMT2A Q03164 1/20 0.36
GLA P06280 1/20 0.34
CYP1A2 P05177 1/20 0.33
BCHE P06276 1/20 0.33
METAP1 P53582 2/20 0.32
CTSL P07711 1/20 0.32
CTSB P07858 1/20 0.32
CTSK P43235 1/20 0.32
ARG1 P05089 2/20 0.31
CHRNB2 P17787 1/20 0.31
CHRNB4 P30926 1/20 0.31
CHRNA3 P32297 1/20 0.31
CHRNA4 P43681 1/20 0.31
GRIN1 Q05586 1/20 0.31
GRIN2A Q12879 1/20 0.31
GRM1 Q13255 1/20 0.31

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
SCHEMBL5983633 0.73 CPB2 (0.39) METAP2KMT2AMETAP1
SCHEMBL4314933 0.72 METAP2 (0.35) METAP2RENALDH1A1KMT2ACTSK
SCHEMBL4314924 0.72 METAP2 (0.35) METAP2RENALDH1A1KMT2ACTSK
SCHEMBL4314936 0.72 METAP2 (0.35) METAP2RENALDH1A1KMT2ACTSK
SCHEMBL4317203 0.69 GLA (0.34) METAP2RENGLACTSLCTSB
SCHEMBL4317197 0.69 GLA (0.34) METAP2RENGLACTSLCTSB
SCHEMBL4317204 0.69 GLA (0.34) METAP2RENGLACTSLCTSB
SCHEMBL20657428 0.67 METAP2 (0.74) METAP2RENALDH1A1KMT2ACHRNB2
SCHEMBL20657427 0.67 METAP2 (0.74) METAP2RENALDH1A1KMT2ACHRNB2
SCHEMBL12835262 0.67 METAP2 (0.74) METAP2RENALDH1A1KMT2ACHRNB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1307203-A4 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORP (US) 2005-08-17 EP disclosed
EP-1278502-A4 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORP (US) 2003-05-21 EP disclosed
EP-1307203-A1 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2003-05-07 EP disclosed
EP-1278502-A2 PROTEASE INHIBITORS SmithKline Beecham Corporation (US) 2003-01-29 EP disclosed
WO-2001089451-A2 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2001-11-29 WO disclosed
WO-2001070232-A1 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2001-09-27 WO disclosed