SCHEMBL3249073

SCHEMBL3249073

Cc1c(Cl)nc(NCCc2ccccc2)c(=O)n1CC(=O)NCCON(C(=N)NC(=O)OC(C)(C)C)C(=O)OC(C)(C)C

nearest known ligand 0.55

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
F2 P00734 18/20 0.55
F7 P08709 16/20 0.55
F3 P13726 16/20 0.55
PRSS1 P07477 2/20 0.52
TPSAB1 Q15661 1/20 0.48

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
SCHEMBL3264482 0.85 F2 (0.59) F2F7F3PRSS1TPSAB1
SCHEMBL6423667 0.78 F2 (0.71) F2F7F3PRSS1TPSAB1
SCHEMBL3241754 0.72 F2 (0.58) F2PRSS1
SCHEMBL7025534 0.71 TPSAB1 (0.49) F2F7F3PRSS1TPSAB1
SCHEMBL3249068 0.71 SMN1; SMN2 (0.50) TPSAB1
SCHEMBL7024770 0.71 TPSAB1 (0.50) F2F7F3PRSS1TPSAB1
SCHEMBL7026586 0.70 TPSAB1 (0.50) F2F7F3PRSS1TPSAB1
SCHEMBL3247707 0.69 F2 (0.60) F2F7F3PRSS1TPSAB1
SCHEMBL7025014 0.69 TPSAB1 (0.47) F2F7F3PRSS1TPSAB1
SCHEMBL5885720 0.68 F2 (0.58) F2F7F3PRSS1TPSAB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1589029-B1 Pyrazinone protease inhibitors ORTHO MCNEIL PHARM INC (US) 2010-03-17 EP disclosed