SCHEMBL8280579

SCHEMBL8280579

C#CCCC(NC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C)C(=O)C(=O)NCC=C

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CTSB P07858 10/20 0.42
▸ CTSL P07711 5/20 0.41
▸ CTSK P43235 4/20 0.41
▸ ABCG2 Q9UNQ0 1/20 0.41
▸ CTSV O60911 1/20 0.40
▸ PLG P00747 1/20 0.40
▸ ELANE P08246 1/20 0.40
▸ CMA1 P23946 1/20 0.40
▸ CTSS P25774 1/20 0.40
▸ CELA1 Q9UNI1 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ CYP3A5 P20815 1/20 0.40
▸ CYP3A7 P24462 1/20 0.40
▸ CYP3A43 Q9HB55 1/20 0.40

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
SCHEMBL8254539 0.90 CTSB (0.44) CTSBCTSLCTSKABCG2CTSV
SCHEMBL8245795 0.86 CTSB (0.39) CTSBCTSLCTSKABCG2CTSV
SCHEMBL8280580 0.86 CYP3A4 (0.36) CTSBCTSLCTSKABCG2ELANE
SCHEMBL16313124 0.85 CMA1 (0.40) CMA1
SCHEMBL14583758 0.84 CTSV (0.43) CTSBCTSLCTSKCTSVELANE
SCHEMBL8280920 0.84 CTSV (0.43) CTSBCTSLCTSKCTSVELANE
SCHEMBL12605882 0.83 CTSB (0.36) CTSBCTSLCTSKELANE
SCHEMBL10141276 0.83 CTSB (0.36) CTSBCTSLCTSKELANE
SCHEMBL8278558 0.82 ABCG2 (0.40) CTSBCTSLCTSKABCG2CTSV
SCHEMBL13225074 0.82 CTSB (0.39) CTSBCTSLCTSKABCG2CTSV

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1737821-B1 3,4-(CYCLOPENTYL)-FUSED PROLINE COMPOUNDS AS INHIBITORS OF HEPATITIS C VIRUS NS3 SERINE PROTEASE SCHERING CORP (US) 2009-08-05 — — EP disclosed
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
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-2005087730-A1 3,4-(CYCLOPENTYL)-FUSED PROLINE COMPOUNDS AS INHIBITORS OF HEPATITIS C VIRUS NS3 SERINE PROTEASE SCHERING CORPORATION (US) 2005-09-22 — — WO disclosed
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