SCHEMBL8259154

SCHEMBL8259154

COC(=O)[C@@H]1C[C@@H](OC(=O)N2CCc3ccccc3C2)CN1C(=O)[C@@H](N)C(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ABHD6 Q9BV23 1/20 0.41
DPP8 Q6V1X1 5/20 0.40
DPP7 Q9UHL4 2/20 0.39
HPGD P15428 1/20 0.39
DPP4 P27487 2/20 0.38
HDAC8 Q9BY41 2/20 0.38
NOTUM Q6P988 1/20 0.38
ACE P12821 1/20 0.38
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
HCRTR2 O43614 1/20 0.37
DPP9 Q86TI2 1/20 0.37
PRMT5 O14744 3/20 0.37
WDR77 Q9BQA1 3/20 0.37
TAS1R3 Q7RTX0 1/20 0.37
TAS1R1 Q7RTX1 1/20 0.37
TAS1R2 Q8TE23 1/20 0.37
HSP90AA1 P07900 1/20 0.36
HSP90AB1 P08238 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
SCHEMBL8255189 0.91 ABHD6 (0.43) ABHD6DPP8DPP7HPGDDPP4
SCHEMBL7850122 0.90 ABHD6 (0.42) ABHD6DPP8HPGDNOTUMACE
SCHEMBL3748218 0.85 PRMT5 (0.47) ABHD6NOTUMNPC1RAB9APRMT5
SCHEMBL2612174 0.85 PRMT5 (0.47) ABHD6NOTUMNPC1RAB9APRMT5
SCHEMBL8122985 0.84 NAMPT (0.35) ABHD6DPP8DPP7DPP4DPP9
Hydrochloric Acid SCHEMBL1635341 0.83 NAMPT (0.35) ABHD6DPP8DPP7DPP4DPP9
Hydrochloric Acid SCHEMBL1635343 0.83 NAMPT (0.35) ABHD6DPP8DPP7DPP4DPP9
SCHEMBL2102201 0.81 NOTUM (0.45) ABHD6HPGDNOTUMNPC1RAB9A
SCHEMBL2102200 0.81 NOTUM (0.45) ABHD6HPGDNOTUMNPC1RAB9A
SCHEMBL8253789 0.81 NOTUM (0.45) ABHD6HPGDNOTUMNPC1RAB9A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1773868-B1 SUBSTITUTED PROLINES AS INHIBITORS OF HEPATITIS C VIRUS NS3 SERINE PROTEASE SCHERING CORP (US) 2009-07-15 EP disclosed
WO-2006130666-A2 MEDICAMENTS AND METHODS COMBINING A HCV PROTEASE INHIBITOR AND AN AKR COMPETITOR SCHERING CORPORATION (US) 2006-12-07 WO disclosed