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SCHEMBL9215224

SCHEMBL9215224

C[C@H](NC(=O)Cc1ccc(C#N)cc1)C(=O)N[C@@H](CC(=O)OC(C)(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)OC(C)(C)C

nearest known ligand 0.48

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ REN P00797 13/20 0.48
▸ CTSS P25774 3/20 0.45
▸ CTSL P07711 2/20 0.45
▸ CTSB P07858 2/20 0.45
▸ CTSK P43235 1/20 0.44
▸ ABCB1 P08183 2/20 0.43

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
SCHEMBL9223574 0.89 CTSG (0.50) RENCTSSCTSLCTSBCTSK
SCHEMBL7305886 0.87 CTSS (0.45) CTSSCTSLCTSBCTSKABCB1
SCHEMBL9217556 0.85 REN (0.49) REN
SCHEMBL9223666 0.85 REN (0.49) REN
SCHEMBL9335616 0.83 LMNA (0.44) CTSLABCB1
SCHEMBL7338218 0.83 CTSS (0.45) CTSSCTSLCTSBCTSKABCB1
SCHEMBL8442775 0.82 MEN1 (0.49) CTSSCTSLCTSBCTSKABCB1
SCHEMBL7304706 0.81 ABCB1 (0.44) RENCTSSCTSLCTSBCTSK
SCHEMBL7301659 0.81 CTSG (0.46) CTSSCTSLCTSBCTSKABCB1
SCHEMBL9223970 0.78 CTSK (0.56) RENCTSLCTSBCTSKABCB1

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-5430024-A Peptides bearing N-terminal amidino moieties and their use as inhibitors of platelet aggregation HOFFMANN-LA ROCHE INC. (US) 1995-07-04 — — US disclosed
US-5273982-A An amidinoaryleneamidoalkylpiperazinyleneacetic acid HOFFMANN-LA ROCHE INC. (US) 1993-12-28 — — US disclosed