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Sugi Predict / Compounds / SCHEMBL10602239

SCHEMBL10602239

SCHEMBL10602239

CC(C)CC(NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]cn1)NC(=O)C(C)C)[C@@H](O)CC(=O)N[C@@H](CC(C)C)C(=O)NC(=O)c1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ REN P00797 11/20 0.63
▸ CTSD P07339 2/20 0.59
▸ F2 P00734 4/20 0.47
▸ CTSE P14091 1/20 0.47
▸ BACE1 P56817 1/20 0.47
▸ APLNR P35414 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
SCHEMBL10601418 0.93 REN (0.61) RENCTSD
SCHEMBL11025160 0.93 REN (0.66) RENCTSDF2CTSEBACE1
SCHEMBL10600978 0.92 REN (0.63) RENCTSDCTSEBACE1
SCHEMBL10777493 0.90 REN (0.77) RENCTSD
SCHEMBL10659161 0.88 REN (0.61) RENCTSDF2APLNR
SCHEMBL10598680 0.87 REN (0.61) RENCTSD
SCHEMBL10752754 0.87 REN (0.62) RENCTSD
SCHEMBL11020013 0.87 REN (0.72) RENCTSDCTSEBACE1
SCHEMBL10732229 0.87 REN (0.62) RENCTSD
SCHEMBL10599812 0.86 REN (0.60) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0081783-B2 RENIN INHIBITORY PEPTIDES HAVING PHE 13 DELETION MERCK & CO. INC. (US) 1989-02-08 — — EP disclosed
EP-0081783-B1 RENIN INHIBITORY PEPTIDES HAVING PHE 13 DELETION MERCK & CO. INC. (US) 1985-06-19 — — EP disclosed
US-4479941-A TREATMENT OF HYPERTENSION AND HYPERALDOSTERONISM MERCK & CO., INC. (US) 1984-10-30 — — US disclosed
EP-0081783-A1 Renin inhibitory peptides having Phe 13 deletion MERCK & CO. INC. (US) 1983-06-22 — — EP disclosed
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