SCHEMBL8249934

SCHEMBL8249934

CCCCC(NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)C1CCCCC1)C(=O)C(=O)NCC

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ NPSR1 Q6W5P4 1/20 0.43
▸ DPP4 P27487 6/20 0.41
▸ DPP8 Q6V1X1 4/20 0.41
▸ DPP7 Q9UHL4 3/20 0.41
▸ DPP9 Q86TI2 3/20 0.41
▸ FAP Q12884 2/20 0.41
▸ FKBP5 Q13451 1/20 0.40
▸ GRB2 P62993 1/20 0.37
▸ F2 P00734 2/20 0.37
▸ XIAP P98170 1/20 0.37
▸ CTSK P43235 1/20 0.37
▸ OPRM1 P35372 1/20 0.37
▸ POLB P06746 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ BCHE P06276 1/20 0.36
▸ F10 P00742 1/20 0.36
▸ PLG P00747 1/20 0.36
▸ PRSS1 P07477 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
SCHEMBL8255656 0.95 NPSR1 (0.44) NPSR1DPP4DPP8DPP7DPP9
SCHEMBL8246705 0.91 DPP4 (0.43) NPSR1DPP4DPP8DPP7DPP9
SCHEMBL8249847 0.91 NPSR1 (0.39) NPSR1DPP4DPP8DPP7DPP9
SCHEMBL8249374 0.86 DPP4 (0.41) DPP4DPP8DPP7DPP9FAP
SCHEMBL8248226 0.85 DPP4 (0.38) NPSR1DPP4DPP8DPP7DPP9
SCHEMBL8250093 0.83 NPSR1 (0.39) NPSR1DPP4DPP8DPP7DPP9
SCHEMBL12601475 0.82 ELANE (0.39) GRB2F2CTSK
SCHEMBL8252744 0.81 CTSK (0.42) CTSK
SCHEMBL8247400 0.80 DPP4 (0.41) NPSR1DPP4DPP8DPP7DPP9
SCHEMBL8250760 0.80 NPSR1 (0.38) NPSR1FKBP5F2CTSKOPRM1

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-2006130554-A2 METHODS OF TREATING HEPATITIS C VIRUS SCHERING CORPORATION (US) 2006-12-07 — — WO disclosed
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