SCHEMBL8246705

SCHEMBL8246705

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

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ DPP4 P27487 6/20 0.43
▸ DPP8 Q6V1X1 4/20 0.43
▸ DPP7 Q9UHL4 3/20 0.43
▸ DPP9 Q86TI2 3/20 0.43
▸ FAP Q12884 2/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43
▸ F2 P00734 2/20 0.41
▸ OPRM1 P35372 2/20 0.40
▸ F10 P00742 1/20 0.39
▸ PLG P00747 1/20 0.39
▸ PRSS1 P07477 1/20 0.39
▸ XIAP P98170 1/20 0.39
▸ GRB2 P62993 1/20 0.39
▸ FKBP5 Q13451 1/20 0.38
▸ STAT3 P40763 1/20 0.37
▸ OPRD1 P41143 1/20 0.37
▸ OPRK1 P41145 1/20 0.37

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
SCHEMBL8249934 0.91 NPSR1 (0.43) DPP4DPP8DPP7DPP9FAP
SCHEMBL8255656 0.90 NPSR1 (0.44) DPP4DPP8DPP7DPP9FAP
SCHEMBL8249847 0.86 NPSR1 (0.39) DPP4DPP8DPP7DPP9FAP
SCHEMBL8251047 0.84 DPP4 (0.45) DPP4DPP8DPP7DPP9FAP
SCHEMBL8250093 0.81 NPSR1 (0.39) DPP4DPP8DPP7DPP9FAP
SCHEMBL8280499 0.81 HTRA1 (0.36) —
SCHEMBL12856111 0.80 DPP4 (0.40) DPP4DPP8DPP7DPP9FAP
SCHEMBL8248226 0.80 DPP4 (0.38) DPP4DPP8DPP7DPP9FAP
SCHEMBL13263356 0.80 DPP4 (0.45) DPP4DPP8DPP7DPP9FAP
SCHEMBL12605556 0.78 ELANE (0.42) NPSR1F2OPRM1F10PLG

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-2006130627-A2 METHODS FOR TREATING HEPATITIS C SCHERING CORPORATION (US) 2006-12-07 — — WO disclosed
Send feedback