SCHEMBL6449506

SCHEMBL6449506

CC(C)C(C(=O)c1noc(-c2ccccc2)n1)N1CCC[C@H]1C(=O)N(C(=O)OCc1ccccc1)C(=O)[C@@H](N)C(C)C

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PREP P48147 2/20 0.35
KCNH2 Q12809 1/20 0.35
MCHR1 Q99705 1/20 0.35
PRSS1 P07477 8/20 0.33
PRSS2 P07478 8/20 0.33
PRSS3 P35030 8/20 0.33
TPSAB1 Q15661 8/20 0.33
ELANE P08246 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
ACE2 Q9BYF1 1/20 0.32
POLB P06746 1/20 0.31
UCHL1 P09936 1/20 0.31
USP30 Q70CQ3 1/20 0.31
FKBP1A P62942 1/20 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
SCHEMBL7286288 0.81 FAAH (0.39) PREPELANESIGMAR1ACE2FKBP1A
SCHEMBL7279122 0.80 F2 (0.37) PREP
SCHEMBL7278813 0.80 F2 (0.37) PREPPRSS1PRSS2PRSS3ELANE
SCHEMBL7276163 0.78 ELANE (0.39) PREPELANE
SCHEMBL7276586 0.77 SIGMAR1 (0.39) PREPELANESIGMAR1ACE2FKBP1A
SCHEMBL9744946 0.77 ELANE (0.47) ELANE
SCHEMBL7289208 0.77 ELANE (0.47) ELANEPOLB
SCHEMBL7004719 0.77 NPC1 (0.37) PREPELANEPOLBFKBP1A
SCHEMBL7288778 0.75 ELANE (0.34) ELANE
SCHEMBL7285956 0.75 TSHR (0.38) PREPELANESIGMAR1ACE2FKBP1A

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
US-6849605-B1 Inhibitors of serine protease activity, methods and compositions for treatment of viral infections THE TRUSTEES OF UNIVERSITY TECHNOLOGY CORPORATION (US) 2005-02-01 US claimed