SCHEMBL13818162

SCHEMBL13818162

C#CCCC(NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)C1(C)CCCCC1)C(=O)C(=O)NCC=C

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ DPP4 P27487 3/20 0.40
▸ PITRM1 Q5JRX3 3/20 0.40
▸ DPP8 Q6V1X1 3/20 0.40
▸ DPP9 Q86TI2 3/20 0.40
▸ DPP7 Q9UHL4 3/20 0.40
▸ FAP Q12884 2/20 0.40
▸ OPRM1 P35372 1/20 0.34
▸ XIAP P98170 1/20 0.32
▸ ITGB1 P05556 1/20 0.32
▸ ITGA4 P13612 1/20 0.32
▸ NR1I2 O75469 3/20 0.31

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
SCHEMBL8239464 0.90 DPP4 (0.42) DPP4PITRM1DPP8DPP9DPP7
SCHEMBL8246062 0.89 DPP4 (0.41) DPP4PITRM1DPP8DPP9DPP7
SCHEMBL8240611 0.87 DPP4 (0.38) DPP4DPP8DPP9DPP7FAP
SCHEMBL8246145 0.87 DPP4 (0.42) DPP4PITRM1DPP8DPP9DPP7
SCHEMBL8281869 0.86 DPP4 (0.42) DPP4PITRM1DPP8DPP9DPP7
SCHEMBL12600611 0.85 DPP4 (0.38) DPP4DPP8DPP9DPP7FAP
SCHEMBL14595892 0.84 CTSV (0.38) —
SCHEMBL13817720 0.84 CTSV (0.38) —
SCHEMBL8280783 0.84 CTSV (0.38) —
SCHEMBL14279155 0.84 DPP4 (0.32) DPP4PITRM1DPP8DPP9DPP7

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-1737881-B1 NOVEL COMPOUNDS AS INHIBITORS OF HEPATITIS C VIRUS NS3 SERINE PROTEASE SCHERING CORP (US) 2009-06-24 — — EP disclosed
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