SCHEMBL12856111

SCHEMBL12856111

CCCCCC(C)(N)[C@H](N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCC)C(=O)C(N)=O

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ DPP4 P27487 2/20 0.40
▸ FAP Q12884 2/20 0.40
▸ DPP8 Q6V1X1 2/20 0.40
▸ DPP9 Q86TI2 2/20 0.40
▸ DPP7 Q9UHL4 2/20 0.40
▸ F2 P00734 3/20 0.39
▸ OPRM1 P35372 2/20 0.38
▸ STAT3 P40763 1/20 0.37
▸ GRB2 P62993 1/20 0.37
▸ XIAP P98170 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ PEPD P12955 1/20 0.36
▸ PRSS1 P07477 2/20 0.36
▸ F10 P00742 1/20 0.35
▸ PLG P00747 1/20 0.35
▸ OPRD1 P41143 1/20 0.35
▸ OPRK1 P41145 1/20 0.35

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
SCHEMBL12601319 0.83 DPP4 (0.45) DPP4FAPDPP8DPP9DPP7
SCHEMBL8246705 0.80 DPP4 (0.43) DPP4FAPDPP8DPP9DPP7
SCHEMBL8247400 0.80 DPP4 (0.41) DPP4FAPDPP8DPP9DPP7
SCHEMBL8249374 0.80 DPP4 (0.41) DPP4FAPDPP8DPP9DPP7
SCHEMBL8247918 0.76 DPP4 (0.38) DPP4FAPDPP8DPP9DPP7
SCHEMBL8253477 0.76 DPP4 (0.38) DPP4FAPDPP8DPP9DPP7
SCHEMBL8290468 0.75 ELANE (0.44) F2MEN1KMT2APRSS1
SCHEMBL8253104 0.74 ELANE (0.47) DPP4FAPDPP8DPP9DPP7
SCHEMBL8247440 0.74 ELANE (0.50) DPP4FAPDPP8DPP9DPP7
SCHEMBL12601475 0.74 ELANE (0.39) F2GRB2

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-1664092-B1 MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS NS3 SERINE PROTEASE SCHERING CORP (US) 2011-02-02 — — EP disclosed
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