SCHEMBL8253440

SCHEMBL8253440

C=CCNC(=O)C(=O)C(CCC)NC(=O)[C@@H]1[C@H]2CCC(C)(C)[C@H]2CN1C(=O)[C@@H](N)C1(C)CCCCC1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ DPP4 P27487 2/20 0.34
▸ FAP Q12884 2/20 0.34
▸ PITRM1 Q5JRX3 2/20 0.34
▸ DPP8 Q6V1X1 2/20 0.34
▸ DPP9 Q86TI2 2/20 0.34
▸ DPP7 Q9UHL4 2/20 0.34
▸ CTSB P07858 8/20 0.34
▸ CTSL P07711 4/20 0.34
▸ CTSK P43235 4/20 0.34
▸ ABCG2 Q9UNQ0 1/20 0.34
▸ CTSV O60911 1/20 0.33
▸ PLG P00747 1/20 0.33
▸ ELANE P08246 1/20 0.33
▸ CMA1 P23946 1/20 0.33
▸ CTSS P25774 1/20 0.33
▸ CELA1 Q9UNI1 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
SCHEMBL13249153 0.95 DPP4 (0.33) DPP4FAPPITRM1DPP8DPP9
SCHEMBL10274953 0.93 CTSB (0.33) DPP4FAPPITRM1DPP8DPP9
SCHEMBL14279155 0.91 DPP4 (0.32) DPP4FAPPITRM1DPP8DPP9
SCHEMBL8243653 0.89 ABCG2 (0.35) CTSBCTSLCTSKABCG2CTSV
SCHEMBL8239967 0.89 CTSB (0.34) CTSBCTSLCTSKABCG2CTSV
SCHEMBL10274956 0.88 DPP4 (0.33) DPP4FAPPITRM1DPP8DPP9
SCHEMBL14595896 0.88 CTSV (0.40) DPP4FAPPITRM1DPP8DPP9
SCHEMBL8249130 0.84 ABCG2 (0.32) CTSBCTSLCTSKABCG2CTSV
SCHEMBL8279718 0.84 CTSB (0.33) CTSBCTSLCTSKCTSVELANE
SCHEMBL10274946 0.84 DPP4 (0.32) DPP4FAPPITRM1DPP8DPP9

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
US-7342041-B2 3,4-(cyclopentyl)-fused proline compounds as inhibitors of hepatitis C virus NS3 serine protease SCHERING CORPORATION (US) 2008-03-11 — — US disclosed
WO-2006130687-A2 LIVER/PLASMA CONCENTRATION RATIO FOR DOSING HEPATITIS C VIRUS PROTEASE INHIBITOR SCHERING CORPORATION (US) 2006-12-07 — — WO disclosed
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