SCHEMBL9676805

SCHEMBL9676805

CC[C@H](C)[C@H](NC(=O)[C@H](C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)COc1ccccc1)C(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)O

nearest known ligand 0.63

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ REN P00797 17/20 0.63
▸ CTSD P07339 3/20 0.53
▸ BACE1 P56817 1/20 0.52

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
SCHEMBL9676798 1.00 REN (0.63) RENCTSDBACE1
SCHEMBL8893459 0.81 REN (0.61) RENCTSDBACE1
SCHEMBL10749186 0.81 REN (0.61) RENCTSDBACE1
SCHEMBL8893254 0.81 REN (0.67) RENCTSD
SCHEMBL7370152 0.78 REN (0.56) RENCTSD
SCHEMBL11023793 0.75 CTSD (0.62) RENCTSD
SCHEMBL11013919 0.75 REN (0.66) REN
SCHEMBL11010625 0.75 REN (0.66) REN
SCHEMBL11025954 0.74 REN (0.67) RENCTSD
SCHEMBL18888212 0.73 CTSD (0.62) RENCTSD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0486478-A2 Renin-inhibiting peptides THE UPJOHN COMPANY (US) 1992-05-20 — — EP disclosed
US-4880781-A HYPOTENSIVE AGENTS THE UPJOHN COMPANY (US) 1989-11-14 — — US disclosed
EP-0173481-A2 Peptides THE UPJOHN COMPANY (US) 1986-03-05 — — EP disclosed
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