SCHEMBL7091460

SCHEMBL7091460

CC(C)(C)OC(=O)N[C@H]1CCCCN(CC(=O)c2ccsc2)C1=O

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
F10 P00742 5/20 0.47
F2 P00734 1/20 0.47
PRSS1 P07477 1/20 0.47
CASP3 P42574 1/20 0.40
SRC P12931 1/20 0.40
MME P08473 1/20 0.39
ACE P12821 1/20 0.39
MMP1 P03956 5/20 0.37
MMP3 P08254 5/20 0.37
TPSAB1 Q15661 4/20 0.36
TPSD1 Q9BZJ3 4/20 0.36
TPSG1 Q9NRR2 4/20 0.36
XIAP P98170 1/20 0.36

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
SCHEMBL7088442 0.82 F10 (0.47) F10F2PRSS1CASP3SRC
SCHEMBL5640985 0.80 F2 (0.56) F10F2PRSS1CASP3MME
SCHEMBL3724402 0.80 F2 (0.56) F10F2PRSS1CASP3MME
SCHEMBL9608921 0.79 F10 (0.60) F10F2PRSS1CASP3SRC
SCHEMBL12525646 0.79 MMP1 (0.55) F10F2PRSS1CASP3SRC
SCHEMBL12494289 0.79 MMP1 (0.55) F10F2PRSS1CASP3SRC
SCHEMBL6984269 0.78 F10 (0.54) F10F2PRSS1MMP1MMP3
SCHEMBL21165916 0.77 F2 (0.53) F10F2PRSS1CASP3SRC
SCHEMBL6982747 0.77 F10 (0.57) F10F2PRSS1
SCHEMBL203869 0.76 F2 (0.59) F10F2PRSS1CASP3MME

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1294716-A1 LACTAM INHIBITORS OF FACTOR XA AND METHOD Bristol-Myers Squibb Company (US) 2003-03-26 EP disclosed
WO-2001096331-A1 LACTAM INHIBITORS OF FACTOR XA AND METHOD BRISTOL-MYERS SQUIBB COMPANY (US) 2001-12-20 WO disclosed