SCHEMBL8280499

SCHEMBL8280499

CCCCC(NC(=O)[C@@H]1C[C@@H](OC(C)(C)C)CN1C(=O)[C@@H](N)C1CCCCC1)C(=O)C(N)=O

nearest known ligand 0.40

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ HTRA1 Q92743 18/20 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
SCHEMBL8282371 0.88 CTSV (0.39) HTRA1
SCHEMBL8246705 0.81 DPP4 (0.43) —
SCHEMBL10139694 0.80 NR1I2 (0.33) HTRA1
SCHEMBL13251685 0.80 HTRA1 (0.34) HTRA1
SCHEMBL10173914 0.78 CTSK (0.43) —
SCHEMBL12604926 0.78 CTSK (0.43) —
SCHEMBL10173922 0.78 CTSK (0.40) —
SCHEMBL12604925 0.78 CTSK (0.40) —
SCHEMBL10174297 0.77 KEAP1 (0.34) HTRA1
SCHEMBL10173750 0.77 KEAP1 (0.32) HTRA1

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
WO-2005087721-A2 COMPOUNDS AS INHIBITORS OF HEPATITIS C VIRUS NS3 SERINE PROTEASE SCHERING CORPORATION (US) 2005-09-22 — — WO disclosed
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