SCHEMBL8250760

SCHEMBL8250760

C=CCNC(=O)C(=O)C(CCCC)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(N)=O)C1CCCCC1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ NPSR1 Q6W5P4 2/20 0.38
▸ F2 P00734 8/20 0.36
▸ PRSS1 P07477 2/20 0.36
▸ PLAT P00750 1/20 0.36
▸ BIRC2 Q13490 1/20 0.35
▸ OPRM1 P35372 1/20 0.35
▸ STAT3 P40763 1/20 0.34
▸ F10 P00742 1/20 0.34
▸ PLG P00747 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ FKBP1A P62942 2/20 0.34
▸ FKBP5 Q13451 2/20 0.34
▸ CTSK P43235 1/20 0.33

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
SCHEMBL8249847 0.90 NPSR1 (0.39) NPSR1F2PRSS1OPRM1STAT3
SCHEMBL8250731 0.86 ELANE (0.36) CTSK
SCHEMBL12606095 0.85 NPSR1 (0.40) NPSR1F2PRSS1PLATBIRC2
SCHEMBL16329146 0.84 BIRC2 (0.36) NPSR1F2PRSS1PLATBIRC2
SCHEMBL12606094 0.84 BIRC2 (0.36) NPSR1F2PRSS1PLATBIRC2
SCHEMBL8248226 0.84 DPP4 (0.38) NPSR1F2PRSS1OPRM1F10
SCHEMBL12606105 0.84 NPSR1 (0.39) NPSR1F2PRSS1PLATBIRC2
SCHEMBL8247918 0.83 DPP4 (0.38) NPSR1F2PRSS1OPRM1STAT3
SCHEMBL8253477 0.83 DPP4 (0.38) NPSR1F2PRSS1OPRM1STAT3
SCHEMBL12606015 0.83 NPSR1 (0.36) NPSR1F2PRSS1PLATBIRC2

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
WO-2006130626-A2 METHOD FOR MODULATING ACTIVITY OF HCV PROTEASE THROUGH USE OF A NOVEL HCV PROTEASE INHIBITOR TO REDUCE DURATION OF TREATMENT PERIOD SCHERING CORPORATION (US) 2006-12-07 — — WO disclosed
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