SCHEMBL10725074

SCHEMBL10725074

CC(C)C[C@H](NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1cccc2ccccc12)NC(=O)OCc1ccccc1)[C@@H](O)CC(=O)NC(CO)C(C)O

nearest known ligand 0.62

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ REN P00797 17/20 0.62
▸ CASP3 P42574 1/20 0.46
▸ CTSB P07858 1/20 0.46
▸ CTSK P43235 1/20 0.46
▸ CTSD P07339 1/20 0.45

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
SCHEMBL10724362 0.95 REN (0.60) RENCTSBCTSK
SCHEMBL10724857 0.95 REN (0.60) RENCASP3CTSBCTSKCTSD
SCHEMBL10720136 0.95 REN (0.60) RENCTSBCTSK
SCHEMBL10720805 0.95 REN (0.60) RENCTSBCTSK
SCHEMBL10720794 0.95 REN (0.60) RENCTSBCTSK
SCHEMBL10720131 0.95 REN (0.60) RENCTSBCTSK
SCHEMBL11016025 0.94 REN (0.61) RENCTSBCTSKCTSD
SCHEMBL11016020 0.94 REN (0.61) RENCTSBCTSKCTSD
SCHEMBL10721231 0.94 REN (0.62) RENCASP3CTSBCTSKCTSD
SCHEMBL10721238 0.94 REN (0.62) RENCASP3CTSBCTSKCTSD

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
US-4698329-A HYPOTENSIVE AGENTS SANKYO COMPANY, LIMITED (JP) 1987-10-06 — — US disclosed
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