SCHEMBL10634906

SCHEMBL10634906

CC[C@H](C)[C@H](NC(=O)CC(NC(=O)OCC1c2ccccc2-c2ccccc21)[C@H](CC(C)C)N(C(=O)OC(C)(C)C)C(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H](N)Cc1ccccc1)C(=O)N[C@@H](CC(C)C)[C@@H](O)CC(=O)OC

nearest known ligand 0.44

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ REN P00797 18/20 0.44
▸ CTSD P07339 2/20 0.41

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
SCHEMBL10632103 0.89 CTSD (0.48) RENCTSD
SCHEMBL10634856 0.78 REN (0.51) REN
SCHEMBL10630585 0.76 REN (0.63) RENCTSD
SCHEMBL10628667 0.76 REN (0.54) RENCTSD
SCHEMBL10628634 0.76 REN (0.65) RENCTSD
SCHEMBL7303899 0.75 CTSD (0.42) RENCTSD
SCHEMBL10800877 0.75 REN (0.49) RENCTSD
SCHEMBL9822366 0.74 REN (0.43) RENCTSD
SCHEMBL11023662 0.74 REN (0.65) RENCTSD
SCHEMBL9716892 0.73 REN (0.65) REN

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-4755592-A Statine-containing peptides useful in medicaments MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1988-07-05 — — US disclosed
EP-0198271-A2 Peptides MERCK PATENT GmbH (DE) 1986-10-22 — — EP disclosed
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