SCHEMBL7375834

SCHEMBL7375834

CCOC(=O)C[C@H](O)[C@H](CC1CCCCC1)N(C(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H](N)Cc1ccccc1)C(=O)N1CCOCC1

nearest known ligand 0.47

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ REN P00797 19/20 0.47
▸ CTSS P25774 1/20 0.42

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
SCHEMBL9844532 0.78 REN (0.46) RENCTSS
SCHEMBL7316055 0.74 REN (0.42) RENCTSS
SCHEMBL7317681 0.74 REN (0.42) RENCTSS
SCHEMBL10422421 0.73 REN (0.43) REN
SCHEMBL10710119 0.73 REN (0.43) REN
SCHEMBL10422719 0.73 REN (0.47) REN
SCHEMBL10421176 0.73 REN (0.47) REN
SCHEMBL9575192 0.72 REN (0.39) RENCTSS
SCHEMBL7275460 0.72 REN (0.60) REN
SCHEMBL7275457 0.72 REN (0.60) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0314239-A2 Tripeptide renin inhibitors with N-terminal ureido or sulfamido groups MERCK & CO. INC. (US) 1989-05-03 — — EP disclosed
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