SCHEMBL8244610

SCHEMBL8244610

C=CCNC(=O)C(=O)C(CC1CCC1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)C(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ELANE P08246 2/20 0.39
▸ CTSV O60911 1/20 0.39
▸ CTSL P07711 1/20 0.39
▸ CTSB P07858 1/20 0.39
▸ CMA1 P23946 1/20 0.39
▸ CTSS P25774 1/20 0.39
▸ CTSK P43235 1/20 0.39
▸ CTSF Q9UBX1 1/20 0.39
▸ DPP4 P27487 2/20 0.38
▸ DPP8 Q6V1X1 2/20 0.38
▸ DPP9 Q86TI2 2/20 0.38
▸ FAP Q12884 1/20 0.38
▸ DPP7 Q9UHL4 1/20 0.38
▸ F2 P00734 4/20 0.37
▸ F10 P00742 2/20 0.37
▸ OPRM1 P35372 1/20 0.37
▸ DPP3 Q9NY33 2/20 0.35
▸ XIAP P98170 1/20 0.35
▸ KMT2A Q03164 1/20 0.33
▸ PRSS1 P07477 1/20 0.33

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
SCHEMBL8278695 1.00 ELANE (0.39) ELANECTSVCTSLCTSBCMA1
SCHEMBL8240265 0.97 DPP4 (0.39) ELANECTSVCTSLCTSBCMA1
SCHEMBL12601266 0.89 ELANE (0.46) ELANECTSVCTSLCTSBCMA1
SCHEMBL8280370 0.88 DPP4 (0.39) DPP4DPP8DPP9FAPDPP7
SCHEMBL8243897 0.88 DPP4 (0.39) DPP4DPP8DPP9FAPDPP7
SCHEMBL8254891 0.88 DPP4 (0.39) CMA1DPP4DPP8DPP9FAP
SCHEMBL8254266 0.87 DPP4 (0.38) ELANECTSVCTSLCTSBCMA1
SCHEMBL8253477 0.86 DPP4 (0.38) CTSKDPP4DPP8DPP9FAP
SCHEMBL8247918 0.86 DPP4 (0.38) CTSKDPP4DPP8DPP9FAP
SCHEMBL8279416 0.86 PEPD (0.42) DPP4DPP8DPP9FAPDPP7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2006130607-A2 CONTROLLED-RELEASE FORMULATION USEFUL FOR TREATING DISORDERS ASSOCIATED WITH HEPATITIS C VIRUS SCHERING CORPORATION (US) 2006-12-07 — — WO disclosed
WO-2006130688-A2 COMPOUNDS FOR INHIBITING CATHEPSIN ACTIVITY SCHERING CORPORATION (US) 2006-12-07 — — WO disclosed
WO-2006130628-A2 COMBINATION OF HCV PROTEASE INHIBITORS WITH A SURFACTANT SCHERING CORPORATION (US) 2006-12-07 — — WO disclosed
WO-2006130554-A2 METHODS OF TREATING HEPATITIS C VIRUS SCHERING CORPORATION (US) 2006-12-07 — — WO disclosed
WO-2005113581-A1 SUBSTITUTED PROLINES AS INHIBITORS OF HEPATITIS C VIRUS NS3 SERINE PROTEASE SCHERING CORPORATION (US) 2005-12-01 — — WO disclosed
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