SCHEMBL6608364

SCHEMBL6608364

CC(C)CN1CCCC[C@@H](OC(N)=O)C1=O

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 3/20 0.45
PER2 O15055 3/20 0.38
CRY2 Q49AN0 2/20 0.35
POLB P06746 1/20 0.35
MMP1 P03956 4/20 0.35
MMP3 P08254 4/20 0.35
ACE P12821 1/20 0.34
ALDH1A1 P00352 2/20 0.33
KMT2A Q03164 2/20 0.33
MEN1 O00255 1/20 0.33
PARP1 P09874 1/20 0.33
HDAC1 Q13547 1/20 0.33
LMNA P02545 1/20 0.32
MAPK1 P28482 1/20 0.32

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
SCHEMBL5972238 0.78 F10 (0.42) ALDH1A1KMT2AMEN1
SCHEMBL29001914 0.74 PER2 (0.34) PER2CRY2ACEALDH1A1
SCHEMBL6545587 0.74 PIK3CD (0.54) PIK3CDPER2POLBMMP1MMP3
SCHEMBL6603982 0.72 ATM (0.39) POLB
SCHEMBL6608359 0.72 ATM (0.39) POLB
SCHEMBL23469785 0.72 PIK3CD (0.61) PIK3CDPER2CRY2POLBHDAC1
SCHEMBL6982714 0.71 F10 (0.41) LMNA
SCHEMBL6982717 0.71 F10 (0.41) LMNA
SCHEMBL14676458 0.71 ATM (0.33)
SCHEMBL28520869 0.70 EPHX1 (0.43) KMT2AMEN1

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-1156803-A4 LACTAM INHIBITORS OF FXa AND METHOD BRISTOL MYERS SQUIBB CO (US) 2004-03-17 EP disclosed
EP-1156803-A1 LACTAM INHIBITORS OF FXa AND METHOD BRISTOL-MYERS SQUIBB COMPANY (US) 2001-11-28 EP disclosed
WO-2000047207-A1 LACTAM INHIBITORS OF FXa AND METHOD BRISTOL-MYERS SQUIBB COMPANY (US) 2000-08-17 WO disclosed